methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoate

C16H14ClNO5 — CID 108767153

IUPACmethyl 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC)c(O)c1
InChIInChI=1S/C16H14ClNO5/c1-22-14-6-4-10(17)8-11(14)15(20)18-12-5-3-9(7-13(12)19)16(21)23-2/h3-8,19H,1-2H3,(H,18,20)
InChIKeyBSWBCKCMQLGCJP-UHFFFAOYSA-N
MW335.74 g/mol
LogP3.09
Rot. Bonds4

About methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoate

methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoate (PubChem CID 108767153) has the molecular formula C16H14ClNO5 and a molecular weight of 335.74 g/mol. Its IUPAC name is methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoate
PubChem CID108767153
Molecular FormulaC16H14ClNO5
Molecular Weight335.74 g/mol
Exact Mass335.06
IUPAC Namemethyl 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC)c(O)c1
InChIInChI=1S/C16H14ClNO5/c1-22-14-6-4-10(17)8-11(14)15(20)18-12-5-3-9(7-13(12)19)16(21)23-2/h3-8,19H,1-2H3,(H,18,20)
InChIKeyBSWBCKCMQLGCJP-UHFFFAOYSA-N
XLogP3.09
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.74
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoic acid
CID 108766491
5-chloro-N-(2-chloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 64787348
N-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide
CID 103766869
N-(2-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 29274206
dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate
CID 1279607
methyl 4-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxybenzoate
CID 108767112
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'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
methyl 4-[(2-bromobenzoyl)amino]-3-hydroxybenzoate
CID 108767103
6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-3-carbonyl chloride
CID 174302752
N-(5-chloro-2-hydroxyphenyl)-2,4,5-trimethoxybenzamide
CID 837991

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoate?
The IUPAC name of methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoate (CID 108767153) is methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoate.
What is the SMILES notation for methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoate?
The canonical SMILES for methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoate is COC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC)c(O)c1.
What is the InChIKey of methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoate?
The InChIKey is BSWBCKCMQLGCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO5/c1-22-14-6-4-10(17)8-11(14)15(20)18-12-5-3-9(7-13(12)19)16(21)23-2/h3-8,19H,1-2H3,(H,18,20).
What are the key properties of methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoate?
methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoate has a molecular weight of 335.74 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoate is sourced from PubChem (CID 108767153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).