5-chloro-2-(2-chloro-5-methoxyanilino)benzoic acid

C14H11Cl2NO3 — CID 63539528

IUPAC5-chloro-2-(2-chloro-5-methoxyanilino)benzoic acid
SMILESCOc1ccc(Cl)c(Nc2ccc(Cl)cc2C(=O)O)c1
InChIInChI=1S/C14H11Cl2NO3/c1-20-9-3-4-11(16)13(7-9)17-12-5-2-8(15)6-10(12)14(18)19/h2-7,17H,1H3,(H,18,19)
InChIKeyCJNRCYUWYWHKTQ-UHFFFAOYSA-N
MW312.15 g/mol
LogP4.44
Rot. Bonds4

About 5-chloro-2-(2-chloro-5-methoxyanilino)benzoic acid

5-chloro-2-(2-chloro-5-methoxyanilino)benzoic acid (PubChem CID 63539528) has the molecular formula C14H11Cl2NO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is 5-chloro-2-(2-chloro-5-methoxyanilino)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(2-chloro-5-methoxyanilino)benzoic acid
PubChem CID63539528
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC Name5-chloro-2-(2-chloro-5-methoxyanilino)benzoic acid
SMILESCOc1ccc(Cl)c(Nc2ccc(Cl)cc2C(=O)O)c1
InChIInChI=1S/C14H11Cl2NO3/c1-20-9-3-4-11(16)13(7-9)17-12-5-2-8(15)6-10(12)14(18)19/h2-7,17H,1H3,(H,18,19)
InChIKeyCJNRCYUWYWHKTQ-UHFFFAOYSA-N
XLogP4.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 13371480
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CID 63536953
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CID 63528661
2-[4-[2-(3,4-dichlorophenyl)ethyl]anilino]-5-methoxybenzoic acid
CID 22269685
2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid
CID 104706931
5-(2-chloro-5-methoxyanilino)furan-2-carboxylic acid
CID 62206911
2-(2,5-dichlorophenoxy)-4-methoxybenzoic acid
CID 81309612
2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide
CID 4077998
5-chloro-2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid
CID 141008038
2-(2-chloro-5-fluoroanilino)-5-fluorobenzoic acid
CID 175233849
4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid
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2-(2-chloroanilino)-5-methoxybenzoate
CID 7098725

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chloro-5-methoxyanilino)benzoic acid?
The IUPAC name of 5-chloro-2-(2-chloro-5-methoxyanilino)benzoic acid (CID 63539528) is 5-chloro-2-(2-chloro-5-methoxyanilino)benzoic acid.
What is the SMILES notation for 5-chloro-2-(2-chloro-5-methoxyanilino)benzoic acid?
The canonical SMILES for 5-chloro-2-(2-chloro-5-methoxyanilino)benzoic acid is COc1ccc(Cl)c(Nc2ccc(Cl)cc2C(=O)O)c1.
What is the InChIKey of 5-chloro-2-(2-chloro-5-methoxyanilino)benzoic acid?
The InChIKey is CJNRCYUWYWHKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3/c1-20-9-3-4-11(16)13(7-9)17-12-5-2-8(15)6-10(12)14(18)19/h2-7,17H,1H3,(H,18,19).
What are the key properties of 5-chloro-2-(2-chloro-5-methoxyanilino)benzoic acid?
5-chloro-2-(2-chloro-5-methoxyanilino)benzoic acid has a molecular weight of 312.15 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-chloro-5-methoxyanilino)benzoic acid is sourced from PubChem (CID 63539528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).