4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoic acid

C15H12ClNO5 — CID 108766491

IUPAC4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoic acid
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C15H12ClNO5/c1-22-13-5-3-9(16)7-10(13)14(19)17-11-4-2-8(15(20)21)6-12(11)18/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyXZCWIIFTSRFYKE-UHFFFAOYSA-N
MW321.72 g/mol
LogP3.00
Rot. Bonds4

About 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoic acid

4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoic acid (PubChem CID 108766491) has the molecular formula C15H12ClNO5 and a molecular weight of 321.72 g/mol. Its IUPAC name is 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoic acid
PubChem CID108766491
Molecular FormulaC15H12ClNO5
Molecular Weight321.72 g/mol
Exact Mass321.04
IUPAC Name4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoic acid
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C15H12ClNO5/c1-22-13-5-3-9(16)7-10(13)14(19)17-11-4-2-8(15(20)21)6-12(11)18/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyXZCWIIFTSRFYKE-UHFFFAOYSA-N
XLogP3.00
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.72
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoate
CID 108767153
5-chloro-N-(2-chloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 64787348
4-[(2-chloro-4-methoxybenzoyl)amino]-3-hydroxybenzoic acid
CID 58230869
4-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-3-hydroxybenzoic acid
CID 108744160
N-(2-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 29274206
4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane
CID 153343129
4-[(4-chloro-2-nitrobenzoyl)amino]-3-hydroxybenzoic acid
CID 108744258
4-chloro-N-(5-chloro-2-methoxyphenyl)-2-hydroxybenzamide
CID 29286691
5-chloro-N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-methoxybenzamide
CID 17111377
5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 50882360
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide
CID 4546153

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoic acid?
The IUPAC name of 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoic acid (CID 108766491) is 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoic acid.
What is the SMILES notation for 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoic acid?
The canonical SMILES for 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoic acid is COc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)O)cc1O.
What is the InChIKey of 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoic acid?
The InChIKey is XZCWIIFTSRFYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO5/c1-22-13-5-3-9(16)7-10(13)14(19)17-11-4-2-8(15(20)21)6-12(11)18/h2-7,18H,1H3,(H,17,19)(H,20,21).
What are the key properties of 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoic acid?
4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoic acid has a molecular weight of 321.72 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoic acid is sourced from PubChem (CID 108766491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).