5-acetamido-2-chloro-4-methoxybenzoic acid

C10H10ClNO4 — CID 112757038

IUPAC5-acetamido-2-chloro-4-methoxybenzoic acid
SMILESCOc1cc(Cl)c(C(=O)O)cc1NC(C)=O
InChIInChI=1S/C10H10ClNO4/c1-5(13)12-8-3-6(10(14)15)7(11)4-9(8)16-2/h3-4H,1-2H3,(H,12,13)(H,14,15)
InChIKeyWWCRQWVXXXTYDT-UHFFFAOYSA-N
MW243.65 g/mol
LogP2.01
Rot. Bonds3

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

5-acetamido-2-chloro-4-methoxybenzoic acid (PubChem CID 112757038) has the molecular formula C10H10ClNO4 and a molecular weight of 243.65 g/mol. Its IUPAC name is 5-acetamido-2-chloro-4-methoxybenzoic acid.

Molecular Properties

Compound Name5-acetamido-2-chloro-4-methoxybenzoic acid
PubChem CID112757038
Molecular FormulaC10H10ClNO4
Molecular Weight243.65 g/mol
Exact Mass243.03
IUPAC Name5-acetamido-2-chloro-4-methoxybenzoic acid
SMILESCOc1cc(Cl)c(C(=O)O)cc1NC(C)=O
InChIInChI=1S/C10H10ClNO4/c1-5(13)12-8-3-6(10(14)15)7(11)4-9(8)16-2/h3-4H,1-2H3,(H,12,13)(H,14,15)
InChIKeyWWCRQWVXXXTYDT-UHFFFAOYSA-N
XLogP2.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-4-chloro-2-methoxyphenyl)acetamide
CID 171363899
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808
N-(5-acetyl-4-hydroxy-2-methoxyphenyl)acetamide
CID 121366040
N-(4-chloro-2-methoxyphenyl)acetamide
CID 593884
4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270694
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 110687101
3-(2,5-dichloro-4-methoxyphenyl)-3-oxopropanoic acid
CID 116917973
4-(4-chloro-2-methoxy-5-methylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991531
2-chloro-5-methoxy-4-propoxybenzoic acid
CID 66528858
N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbut-2-enamide
CID 19177485

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-chloro-4-methoxybenzoic acid?
The IUPAC name of 5-acetamido-2-chloro-4-methoxybenzoic acid (CID 112757038) is 5-acetamido-2-chloro-4-methoxybenzoic acid.
What is the SMILES notation for 5-acetamido-2-chloro-4-methoxybenzoic acid?
The canonical SMILES for 5-acetamido-2-chloro-4-methoxybenzoic acid is COc1cc(Cl)c(C(=O)O)cc1NC(C)=O.
What is the InChIKey of 5-acetamido-2-chloro-4-methoxybenzoic acid?
The InChIKey is WWCRQWVXXXTYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4/c1-5(13)12-8-3-6(10(14)15)7(11)4-9(8)16-2/h3-4H,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 5-acetamido-2-chloro-4-methoxybenzoic acid?
5-acetamido-2-chloro-4-methoxybenzoic acid has a molecular weight of 243.65 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-chloro-4-methoxybenzoic acid is sourced from PubChem (CID 112757038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).