2-(9-carboxynonylcarbamoyl)benzoic acid;10-[(3,5-dichloro-2-hydroxybenzoyl)amino]decanoic acid;3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoic acid;3-[4-[(5-fluoro-2-hydroxy-3-methylbenzoyl)amino]phenyl]propanoic acid;8-[(2-hydroxy-5-methylbenzoyl)amino]octanoic acid;11-[(2-methoxybenzoyl)amino]undecanoic acid

C103H130Cl2F2N6O25 — CID 157062401

IUPAC2-(9-carboxynonylcarbamoyl)benzoic acid;10-[(3,5-dichloro-2-hydroxybenzoyl)amino]decanoic acid;3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoic acid;3-[4-[(5-fluoro-2-hydroxy-3-methylbenzoyl)amino]phenyl]propanoic acid;8-[(2-hydroxy-5-methylbenzoyl)amino]octanoic acid;11-[(2-methoxybenzoyl)amino]undecanoic acid
SMILESCOc1ccccc1C(=O)NCCCCCCCCCCC(=O)O.Cc1cc(F)cc(C(=O)Nc2ccc(CCC(=O)O)cc2)c1O.Cc1ccc(O)c(C(=O)NCCCCCCCC(=O)O)c1.O=C(O)CCCCCCCCCNC(=O)c1cc(Cl)cc(Cl)c1O.O=C(O)CCCCCCCCCNC(=O)c1ccccc1C(=O)O.O=C(O)CCc1ccc(NC(=O)c2ccccc2O)c(F)c1
InChIInChI=1S/C19H29NO4.C18H25NO5.C17H23Cl2NO4.C17H16FNO4.C16H14FNO4.C16H23NO4/c1-24-17-13-10-9-12-16(17)19(23)20-15-11-7-5-3-2-4-6-8-14-18(21)22;20-16(21)12-6-4-2-1-3-5-9-13-19-17(22)14-10-7-8-11-15(14)18(23)24;18-12-10-13(16(23)14(19)11-12)17(24)20-9-7-5-3-1-2-4-6-8-15(21)22;1-10-8-12(18)9-14(16(10)22)17(23)19-13-5-2-11(3-6-13)4-7-15(20)21;17-12-9-10(6-8-15(20)21)5-7-13(12)18-16(22)11-3-1-2-4-14(11)19;1-12-8-9-14(18)13(11-12)16(21)17-10-6-4-2-3-5-7-15(19)20/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,20,23)(H,21,22);7-8,10-11H,1-6,9,12-13H2,(H,19,22)(H,20,21)(H,23,24);10-11,23H,1-9H2,(H,20,24)(H,21,22);2-3,5-6,8-9,22H,4,7H2,1H3,(H,19,23)(H,20,21);1-5,7,9,19H,6,8H2,(H,18,22)(H,20,21);8-9,11,18H,2-7,10H2,1H3,(H,17,21)(H,19,20)
InChIKeyABMBMVHVTGILLT-UHFFFAOYSA-N
MW1961.09 g/mol
LogP20.74
Rot. Bonds55

About 2-(9-carboxynonylcarbamoyl)benzoic acid;10-[(3,5-dichloro-2-hydroxybenzoyl)amino]decanoic acid;3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoic acid;3-[4-[(5-fluoro-2-hydroxy-3-methylbenzoyl)amino]phenyl]propanoic acid;8-[(2-hydroxy-5-methylbenzoyl)amino]octanoic acid;11-[(2-methoxybenzoyl)amino]undecanoic acid

2-(9-carboxynonylcarbamoyl)benzoic acid;10-[(3,5-dichloro-2-hydroxybenzoyl)amino]decanoic acid;3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoic acid;3-[4-[(5-fluoro-2-hydroxy-3-methylbenzoyl)amino]phenyl]propanoic acid;8-[(2-hydroxy-5-methylbenzoyl)amino]octanoic acid;11-[(2-methoxybenzoyl)amino]undecanoic acid (PubChem CID 157062401) has the molecular formula C103H130Cl2F2N6O25 and a molecular weight of 1961.09 g/mol. Its IUPAC name is 2-(9-carboxynonylcarbamoyl)benzoic acid;10-[(3,5-dichloro-2-hydroxybenzoyl)amino]decanoic acid;3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoic acid;3-[4-[(5-fluoro-2-hydroxy-3-methylbenzoyl)amino]phenyl]propanoic acid;8-[(2-hydroxy-5-methylbenzoyl)amino]octanoic acid;11-[(2-methoxybenzoyl)amino]undecanoic acid.

Molecular Properties

Compound Name2-(9-carboxynonylcarbamoyl)benzoic acid;10-[(3,5-dichloro-2-hydroxybenzoyl)amino]decanoic acid;3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoic acid;3-[4-[(5-fluoro-2-hydroxy-3-methylbenzoyl)amino]phenyl]propanoic acid;8-[(2-hydroxy-5-methylbenzoyl)amino]octanoic acid;11-[(2-methoxybenzoyl)amino]undecanoic acid
PubChem CID157062401
Molecular FormulaC103H130Cl2F2N6O25
Molecular Weight1961.09 g/mol
Exact Mass1958.84
IUPAC Name2-(9-carboxynonylcarbamoyl)benzoic acid;10-[(3,5-dichloro-2-hydroxybenzoyl)amino]decanoic acid;3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoic acid;3-[4-[(5-fluoro-2-hydroxy-3-methylbenzoyl)amino]phenyl]propanoic acid;8-[(2-hydroxy-5-methylbenzoyl)amino]octanoic acid;11-[(2-methoxybenzoyl)amino]undecanoic acid
SMILESCOc1ccccc1C(=O)NCCCCCCCCCCC(=O)O.Cc1cc(F)cc(C(=O)Nc2ccc(CCC(=O)O)cc2)c1O.Cc1ccc(O)c(C(=O)NCCCCCCCC(=O)O)c1.O=C(O)CCCCCCCCCNC(=O)c1cc(Cl)cc(Cl)c1O.O=C(O)CCCCCCCCCNC(=O)c1ccccc1C(=O)O.O=C(O)CCc1ccc(NC(=O)c2ccccc2O)c(F)c1
InChIInChI=1S/C19H29NO4.C18H25NO5.C17H23Cl2NO4.C17H16FNO4.C16H14FNO4.C16H23NO4/c1-24-17-13-10-9-12-16(17)19(23)20-15-11-7-5-3-2-4-6-8-14-18(21)22;20-16(21)12-6-4-2-1-3-5-9-13-19-17(22)14-10-7-8-11-15(14)18(23)24;18-12-10-13(16(23)14(19)11-12)17(24)20-9-7-5-3-1-2-4-6-8-15(21)22;1-10-8-12(18)9-14(16(10)22)17(23)19-13-5-2-11(3-6-13)4-7-15(20)21;17-12-9-10(6-8-15(20)21)5-7-13(12)18-16(22)11-3-1-2-4-14(11)19;1-12-8-9-14(18)13(11-12)16(21)17-10-6-4-2-3-5-7-15(19)20/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,20,23)(H,21,22);7-8,10-11H,1-6,9,12-13H2,(H,19,22)(H,20,21)(H,23,24);10-11,23H,1-9H2,(H,20,24)(H,21,22);2-3,5-6,8-9,22H,4,7H2,1H3,(H,19,23)(H,20,21);1-5,7,9,19H,6,8H2,(H,18,22)(H,20,21);8-9,11,18H,2-7,10H2,1H3,(H,17,21)(H,19,20)
InChIKeyABMBMVHVTGILLT-UHFFFAOYSA-N
XLogP20.74
TPSA525.85 Ų
H-Bond Donors17
H-Bond Acceptors18
Rotatable Bonds55
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001961.09
LogP ≤ 520.74
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(9-carboxynonylcarbamoyl)benzoic acid;10-[(3,5-dichloro-2-hydroxybenzoyl)amino]decanoic acid;3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoic acid;3-[4-[(5-fluoro-2-hydroxy-3-methylbenzoyl)amino]phenyl]propanoic acid;8-[(2-hydroxy-5-methylbenzoyl)amino]octanoic acid;11-[(2-methoxybenzoyl)amino]undecanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(9-carboxynonylcarbamoyl)benzoic acid;10-[(3,5-dichloro-2-hydroxybenzoyl)amino]decanoic acid;3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoic acid;3-[4-[(5-fluoro-2-hydroxy-3-methylbenzoyl)amino]phenyl]propanoic acid;8-[(2-hydroxy-5-methylbenzoyl)amino]octanoic acid;11-[(2-methoxybenzoyl)amino]undecanoic acid?
The IUPAC name of 2-(9-carboxynonylcarbamoyl)benzoic acid;10-[(3,5-dichloro-2-hydroxybenzoyl)amino]decanoic acid;3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoic acid;3-[4-[(5-fluoro-2-hydroxy-3-methylbenzoyl)amino]phenyl]propanoic acid;8-[(2-hydroxy-5-methylbenzoyl)amino]octanoic acid;11-[(2-methoxybenzoyl)amino]undecanoic acid (CID 157062401) is 2-(9-carboxynonylcarbamoyl)benzoic acid;10-[(3,5-dichloro-2-hydroxybenzoyl)amino]decanoic acid;3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoic acid;3-[4-[(5-fluoro-2-hydroxy-3-methylbenzoyl)amino]phenyl]propanoic acid;8-[(2-hydroxy-5-methylbenzoyl)amino]octanoic acid;11-[(2-methoxybenzoyl)amino]undecanoic acid.
What is the SMILES notation for 2-(9-carboxynonylcarbamoyl)benzoic acid;10-[(3,5-dichloro-2-hydroxybenzoyl)amino]decanoic acid;3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoic acid;3-[4-[(5-fluoro-2-hydroxy-3-methylbenzoyl)amino]phenyl]propanoic acid;8-[(2-hydroxy-5-methylbenzoyl)amino]octanoic acid;11-[(2-methoxybenzoyl)amino]undecanoic acid?
The canonical SMILES for 2-(9-carboxynonylcarbamoyl)benzoic acid;10-[(3,5-dichloro-2-hydroxybenzoyl)amino]decanoic acid;3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoic acid;3-[4-[(5-fluoro-2-hydroxy-3-methylbenzoyl)amino]phenyl]propanoic acid;8-[(2-hydroxy-5-methylbenzoyl)amino]octanoic acid;11-[(2-methoxybenzoyl)amino]undecanoic acid is COc1ccccc1C(=O)NCCCCCCCCCCC(=O)O.Cc1cc(F)cc(C(=O)Nc2ccc(CCC(=O)O)cc2)c1O.Cc1ccc(O)c(C(=O)NCCCCCCCC(=O)O)c1.O=C(O)CCCCCCCCCNC(=O)c1cc(Cl)cc(Cl)c1O.O=C(O)CCCCCCCCCNC(=O)c1ccccc1C(=O)O.O=C(O)CCc1ccc(NC(=O)c2ccccc2O)c(F)c1.
What is the InChIKey of 2-(9-carboxynonylcarbamoyl)benzoic acid;10-[(3,5-dichloro-2-hydroxybenzoyl)amino]decanoic acid;3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoic acid;3-[4-[(5-fluoro-2-hydroxy-3-methylbenzoyl)amino]phenyl]propanoic acid;8-[(2-hydroxy-5-methylbenzoyl)amino]octanoic acid;11-[(2-methoxybenzoyl)amino]undecanoic acid?
The InChIKey is ABMBMVHVTGILLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4.C18H25NO5.C17H23Cl2NO4.C17H16FNO4.C16H14FNO4.C16H23NO4/c1-24-17-13-10-9-12-16(17)19(23)20-15-11-7-5-3-2-4-6-8-14-18(21)22;20-16(21)12-6-4-2-1-3-5-9-13-19-17(22)14-10-7-8-11-15(14)18(23)24;18-12-10-13(16(23)14(19)11-12)17(24)20-9-7-5-3-1-2-4-6-8-15(21)22;1-10-8-12(18)9-14(16(10)22)17(23)19-13-5-2-11(3-6-13)4-7-15(20)21;17-12-9-10(6-8-15(20)21)5-7-13(12)18-16(22)11-3-1-2-4-14(11)19;1-12-8-9-14(18)13(11-12)16(21)17-10-6-4-2-3-5-7-15(19)20/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,20,23)(H,21,22);7-8,10-11H,1-6,9,12-13H2,(H,19,22)(H,20,21)(H,23,24);10-11,23H,1-9H2,(H,20,24)(H,21,22);2-3,5-6,8-9,22H,4,7H2,1H3,(H,19,23)(H,20,21);1-5,7,9,19H,6,8H2,(H,18,22)(H,20,21);8-9,11,18H,2-7,10H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-(9-carboxynonylcarbamoyl)benzoic acid;10-[(3,5-dichloro-2-hydroxybenzoyl)amino]decanoic acid;3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoic acid;3-[4-[(5-fluoro-2-hydroxy-3-methylbenzoyl)amino]phenyl]propanoic acid;8-[(2-hydroxy-5-methylbenzoyl)amino]octanoic acid;11-[(2-methoxybenzoyl)amino]undecanoic acid?
2-(9-carboxynonylcarbamoyl)benzoic acid;10-[(3,5-dichloro-2-hydroxybenzoyl)amino]decanoic acid;3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoic acid;3-[4-[(5-fluoro-2-hydroxy-3-methylbenzoyl)amino]phenyl]propanoic acid;8-[(2-hydroxy-5-methylbenzoyl)amino]octanoic acid;11-[(2-methoxybenzoyl)amino]undecanoic acid has a molecular weight of 1961.09 g/mol, XLogP of 20.74, 55 rotatable bonds, 17 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-carboxynonylcarbamoyl)benzoic acid;10-[(3,5-dichloro-2-hydroxybenzoyl)amino]decanoic acid;3-[3-fluoro-4-[(2-hydroxybenzoyl)amino]phenyl]propanoic acid;3-[4-[(5-fluoro-2-hydroxy-3-methylbenzoyl)amino]phenyl]propanoic acid;8-[(2-hydroxy-5-methylbenzoyl)amino]octanoic acid;11-[(2-methoxybenzoyl)amino]undecanoic acid is sourced from PubChem (CID 157062401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).