4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid

C18H16ClNO6 — CID 108808232

IUPAC4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid
SMILESCOc1ccc(Cl)cc1C(=O)CCC(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C18H16ClNO6/c1-26-16-6-2-10(19)8-13(16)14(21)5-7-17(23)20-11-3-4-12(18(24)25)15(22)9-11/h2-4,6,8-9,22H,5,7H2,1H3,(H,20,23)(H,24,25)
InChIKeyKITJRBCHYNEZNS-UHFFFAOYSA-N
MW377.78 g/mol
LogP3.35
Rot. Bonds7

About 4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid

4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid (PubChem CID 108808232) has the molecular formula C18H16ClNO6 and a molecular weight of 377.78 g/mol. Its IUPAC name is 4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid
PubChem CID108808232
Molecular FormulaC18H16ClNO6
Molecular Weight377.78 g/mol
Exact Mass377.07
IUPAC Name4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid
SMILESCOc1ccc(Cl)cc1C(=O)CCC(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C18H16ClNO6/c1-26-16-6-2-10(19)8-13(16)14(21)5-7-17(23)20-11-3-4-12(18(24)25)15(22)9-11/h2-4,6,8-9,22H,5,7H2,1H3,(H,20,23)(H,24,25)
InChIKeyKITJRBCHYNEZNS-UHFFFAOYSA-N
XLogP3.35
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid with MolForge

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Related Compounds

2-hydroxy-4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]benzoic acid
CID 108807431
4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide
CID 108797024
N-(3-bromophenyl)-4-(5-chloro-2-methoxyphenyl)-4-oxobutanamide
CID 108797043
4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 108808305
4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide
CID 108796899
4-(5-chloro-2-methoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]-4-oxobutanamide
CID 108808280
4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide
CID 108797023
N-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108795963
4-(5-chloro-2-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanamide
CID 108730998
4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide
CID 108796947
4-(5-chloro-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 108796959
4-(5-chloro-2-methoxyphenyl)-N-(2-fluorophenyl)-4-oxobutanamide
CID 108808249

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid (CID 108808232) is 4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid is COc1ccc(Cl)cc1C(=O)CCC(=O)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid?
The InChIKey is KITJRBCHYNEZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO6/c1-26-16-6-2-10(19)8-13(16)14(21)5-7-17(23)20-11-3-4-12(18(24)25)15(22)9-11/h2-4,6,8-9,22H,5,7H2,1H3,(H,20,23)(H,24,25).
What are the key properties of 4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid?
4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid has a molecular weight of 377.78 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 108808232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).