2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid

C22H18N2O5 — CID 982166

IUPAC2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C22H18N2O5/c1-29-15-12-10-14(11-13-15)23-21(26)18-8-4-5-9-19(18)24-20(25)16-6-2-3-7-17(16)22(27)28/h2-13H,1H3,(H,23,26)(H,24,25)(H,27,28)
InChIKeyUPBLVUJDXARXED-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.90
Rot. Bonds6

About 2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid

2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid (PubChem CID 982166) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
PubChem CID982166
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C22H18N2O5/c1-29-15-12-10-14(11-13-15)23-21(26)18-8-4-5-9-19(18)24-20(25)16-6-2-3-7-17(16)22(27)28/h2-13H,1H3,(H,23,26)(H,24,25)(H,27,28)
InChIKeyUPBLVUJDXARXED-UHFFFAOYSA-N
XLogP3.90
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-Methoxyphenyl)amino]benzoic acid
CID 202918
2-((4-Phenoxyanilino)carbonyl)benzoic acid
CID 736198
2-(4-Methoxybenzamido)benzoic acid
CID 721421
2-[[4-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic Acid
CID 2193203
2-[(3-Phenoxy-4-phenylbenzene)amido]benzoic acid
CID 11177309
2-[3-[4-(2-Methoxyphenyl)phenyl]propanoylamino]benzoic acid
CID 11595935
2-[3-[4-(4-Methoxyphenyl)phenyl]propanoylamino]benzoic acid
CID 11617732
2-[3-[4-(3-Methoxyphenyl)phenyl]propanoylamino]benzoic acid
CID 11646494
2-(((2-((Phenylamino)carbonyl)phenyl)amino)carbonyl)benzoic acid
CID 1008649
N-(4-methoxyphenyl)-2-methylbenzamide
CID 531865
Anthranilic acid, N-(p-(difluoromethoxy)phenyl)-
CID 2398458
4'-Methoxyphthalanilic acid
CID 792715

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid (CID 982166) is 2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid is COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid?
The InChIKey is UPBLVUJDXARXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-29-15-12-10-14(11-13-15)23-21(26)18-8-4-5-9-19(18)24-20(25)16-6-2-3-7-17(16)22(27)28/h2-13H,1H3,(H,23,26)(H,24,25)(H,27,28).
What are the key properties of 2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid?
2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid has a molecular weight of 390.40 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 982166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).