4-[(3-chloro-5-methyl-4-propan-2-yloxybenzoyl)amino]-2-methylbenzoic acid

C19H20ClNO4 — CID 67977734

IUPAC4-[(3-chloro-5-methyl-4-propan-2-yloxybenzoyl)amino]-2-methylbenzoic acid
SMILESCc1cc(NC(=O)c2cc(C)c(OC(C)C)c(Cl)c2)ccc1C(=O)O
InChIInChI=1S/C19H20ClNO4/c1-10(2)25-17-12(4)7-13(9-16(17)20)18(22)21-14-5-6-15(19(23)24)11(3)8-14/h5-10H,1-4H3,(H,21,22)(H,23,24)
InChIKeyLXNMVBSPFKZRFP-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.69
Rot. Bonds5

About 4-[(3-chloro-5-methyl-4-propan-2-yloxybenzoyl)amino]-2-methylbenzoic acid

4-[(3-chloro-5-methyl-4-propan-2-yloxybenzoyl)amino]-2-methylbenzoic acid (PubChem CID 67977734) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is 4-[(3-chloro-5-methyl-4-propan-2-yloxybenzoyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[(3-chloro-5-methyl-4-propan-2-yloxybenzoyl)amino]-2-methylbenzoic acid
PubChem CID67977734
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name4-[(3-chloro-5-methyl-4-propan-2-yloxybenzoyl)amino]-2-methylbenzoic acid
SMILESCc1cc(NC(=O)c2cc(C)c(OC(C)C)c(Cl)c2)ccc1C(=O)O
InChIInChI=1S/C19H20ClNO4/c1-10(2)25-17-12(4)7-13(9-16(17)20)18(22)21-14-5-6-15(19(23)24)11(3)8-14/h5-10H,1-4H3,(H,21,22)(H,23,24)
InChIKeyLXNMVBSPFKZRFP-UHFFFAOYSA-N
XLogP4.69
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetyl-3-methylphenyl)-3-chloro-4-methoxy-5-propan-2-yloxybenzamide
CID 67977848
4-[(3-chloro-4-methyl-5-propan-2-yloxybenzoyl)amino]-2-hydroxybenzoic acid
CID 67977754
4-[(3-chloro-4-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 28669002
3,5-dichloro-N-(3-chloro-4-methylphenyl)-4-methoxybenzamide
CID 672349
4-[[2-chloro-5-(3-methylbutanoylamino)benzoyl]amino]-2-methylbenzoic acid
CID 119240331
3-chloro-N-(4-formyl-3-hydroxyphenyl)-4,5-di(propan-2-yloxy)benzamide
CID 88538932
N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 28914625
4-[[3-chloro-4,5-di(cyclobutyloxy)benzoyl]amino]-2-hydroxybenzoic acid
CID 51034535
4-[(3-chloro-4-methoxy-5-pentan-3-yloxybenzoyl)amino]-2-fluorobenzoic acid
CID 51034761
2-methyl-4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]benzoic acid
CID 119240314
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-5-methyl-4-propan-2-yloxybenzoyl)amino]-2-methylbenzoic acid?
The IUPAC name of 4-[(3-chloro-5-methyl-4-propan-2-yloxybenzoyl)amino]-2-methylbenzoic acid (CID 67977734) is 4-[(3-chloro-5-methyl-4-propan-2-yloxybenzoyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 4-[(3-chloro-5-methyl-4-propan-2-yloxybenzoyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 4-[(3-chloro-5-methyl-4-propan-2-yloxybenzoyl)amino]-2-methylbenzoic acid is Cc1cc(NC(=O)c2cc(C)c(OC(C)C)c(Cl)c2)ccc1C(=O)O.
What is the InChIKey of 4-[(3-chloro-5-methyl-4-propan-2-yloxybenzoyl)amino]-2-methylbenzoic acid?
The InChIKey is LXNMVBSPFKZRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-10(2)25-17-12(4)7-13(9-16(17)20)18(22)21-14-5-6-15(19(23)24)11(3)8-14/h5-10H,1-4H3,(H,21,22)(H,23,24).
What are the key properties of 4-[(3-chloro-5-methyl-4-propan-2-yloxybenzoyl)amino]-2-methylbenzoic acid?
4-[(3-chloro-5-methyl-4-propan-2-yloxybenzoyl)amino]-2-methylbenzoic acid has a molecular weight of 361.83 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-5-methyl-4-propan-2-yloxybenzoyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 67977734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).