4-benzamido-5-chloro-2-methoxybenzoic acid

C15H12ClNO4 — CID 43405427

IUPAC4-benzamido-5-chloro-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)c2ccccc2)c(Cl)cc1C(=O)O
InChIInChI=1S/C15H12ClNO4/c1-21-13-8-12(11(16)7-10(13)15(19)20)17-14(18)9-5-3-2-4-6-9/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyLFROPTOZPFBBIC-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.30
Rot. Bonds4

About 4-benzamido-5-chloro-2-methoxybenzoic acid

4-benzamido-5-chloro-2-methoxybenzoic acid (PubChem CID 43405427) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is 4-benzamido-5-chloro-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-benzamido-5-chloro-2-methoxybenzoic acid
PubChem CID43405427
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name4-benzamido-5-chloro-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)c2ccccc2)c(Cl)cc1C(=O)O
InChIInChI=1S/C15H12ClNO4/c1-21-13-8-12(11(16)7-10(13)15(19)20)17-14(18)9-5-3-2-4-6-9/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyLFROPTOZPFBBIC-UHFFFAOYSA-N
XLogP3.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 45429951
5-chloro-2-methoxy-4-(pyridazine-4-carbonylamino)benzoic acid
CID 104669440
5-chloro-4-(furan-3-carbonylamino)-2-methoxybenzoic acid
CID 43614418
5-chloro-2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]benzoic acid
CID 45429945
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
4-(1,3-benzodioxole-5-carbonylamino)-5-chloro-2-methoxybenzoic acid
CID 45430005
5-chloro-4-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-2-methoxybenzoic acid
CID 108804649
2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid
CID 174641958
5-chloro-4-[(5-chlorothiophene-2-carbonyl)amino]-2-methoxybenzoic acid
CID 43406221
2-benzamido-4-hydroxy-5-methoxybenzoic acid
CID 71325252
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
4-(benzylcarbamothioylamino)-5-chloro-2-methoxybenzoic acid
CID 91687091

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-5-chloro-2-methoxybenzoic acid?
The IUPAC name of 4-benzamido-5-chloro-2-methoxybenzoic acid (CID 43405427) is 4-benzamido-5-chloro-2-methoxybenzoic acid.
What is the SMILES notation for 4-benzamido-5-chloro-2-methoxybenzoic acid?
The canonical SMILES for 4-benzamido-5-chloro-2-methoxybenzoic acid is COc1cc(NC(=O)c2ccccc2)c(Cl)cc1C(=O)O.
What is the InChIKey of 4-benzamido-5-chloro-2-methoxybenzoic acid?
The InChIKey is LFROPTOZPFBBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-21-13-8-12(11(16)7-10(13)15(19)20)17-14(18)9-5-3-2-4-6-9/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-benzamido-5-chloro-2-methoxybenzoic acid?
4-benzamido-5-chloro-2-methoxybenzoic acid has a molecular weight of 305.72 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-5-chloro-2-methoxybenzoic acid is sourced from PubChem (CID 43405427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).