4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid

C18H11Cl2NO5 — CID 28669924

IUPAC4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C18H11Cl2NO5/c19-12-4-1-9(7-13(12)20)15-5-6-16(26-15)17(23)21-10-2-3-11(18(24)25)14(22)8-10/h1-8,22H,(H,21,23)(H,24,25)
InChIKeyBOBSCFXKKRIACU-UHFFFAOYSA-N
MW392.19 g/mol
LogP4.91
Rot. Bonds4

About 4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid

4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid (PubChem CID 28669924) has the molecular formula C18H11Cl2NO5 and a molecular weight of 392.19 g/mol. Its IUPAC name is 4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid
PubChem CID28669924
Molecular FormulaC18H11Cl2NO5
Molecular Weight392.19 g/mol
Exact Mass391.00
IUPAC Name4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C18H11Cl2NO5/c19-12-4-1-9(7-13(12)20)15-5-6-16(26-15)17(23)21-10-2-3-11(18(24)25)14(22)8-10/h1-8,22H,(H,21,23)(H,24,25)
InChIKeyBOBSCFXKKRIACU-UHFFFAOYSA-N
XLogP4.91
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.19
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoic acid
CID 28670699
5-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid
CID 28670286
4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid
CID 28914790
N-[4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117664
5-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3124272
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 17117616
N-(6-acetamido-1,3-benzothiazol-2-yl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 2977549
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 28669941
3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid
CID 28670400
5-(3,4-dichlorophenyl)-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 17358177
N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
2-chloro-4-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid
CID 3251427

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid (CID 28669924) is 4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid is O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid?
The InChIKey is BOBSCFXKKRIACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2NO5/c19-12-4-1-9(7-13(12)20)15-5-6-16(26-15)17(23)21-10-2-3-11(18(24)25)14(22)8-10/h1-8,22H,(H,21,23)(H,24,25).
What are the key properties of 4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid?
4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid has a molecular weight of 392.19 g/mol, XLogP of 4.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 28669924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).