4-acetamido-3-chlorobenzoate

C9H7ClNO3- — CID 6920708

IUPAC4-acetamido-3-chlorobenzoate
SMILESCC(=O)Nc1ccc(C(=O)[O-])cc1Cl
InChIInChI=1S/C9H8ClNO3/c1-5(12)11-8-3-2-6(9(13)14)4-7(8)10/h2-4H,1H3,(H,11,12)(H,13,14)/p-1
InChIKeyZFQGFRPIFLLJKF-UHFFFAOYSA-M
MW212.61 g/mol
LogP0.66
Rot. Bonds2

About 4-acetamido-3-chlorobenzoate

4-acetamido-3-chlorobenzoate (PubChem CID 6920708) has the molecular formula C9H7ClNO3- and a molecular weight of 212.61 g/mol. Its IUPAC name is 4-acetamido-3-chlorobenzoate.

Molecular Properties

Compound Name4-acetamido-3-chlorobenzoate
PubChem CID6920708
Molecular FormulaC9H7ClNO3-
Molecular Weight212.61 g/mol
Exact Mass212.01
IUPAC Name4-acetamido-3-chlorobenzoate
SMILESCC(=O)Nc1ccc(C(=O)[O-])cc1Cl
InChIInChI=1S/C9H8ClNO3/c1-5(12)11-8-3-2-6(9(13)14)4-7(8)10/h2-4H,1H3,(H,11,12)(H,13,14)/p-1
InChIKeyZFQGFRPIFLLJKF-UHFFFAOYSA-M
XLogP0.66
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.61
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-diacetamidobenzoate
CID 6922666
3-acetamido-5-chloro-4-methylbenzoate
CID 7601901
N-(2-chloro-4-hydroxyphenyl)acetamide
CID 14590937
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride
CID 3024733
N-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide
CID 41305249
3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 25047152
(4-acetamido-3-chlorophenyl) thiocyanate
CID 53297963
3,4-bis(2-methylpropanoylamino)benzoate
CID 6949578
(4-carbamothioyl-2-chlorophenyl)urea
CID 107808654
2-hydroxyethyl N-(4-acetamido-3-chlorophenyl)carbamate
CID 79349658
3-[(2Z)-2-butan-2-ylidenehydrazinyl]-4-chlorobenzoate
CID 8973555

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-3-chlorobenzoate?
The IUPAC name of 4-acetamido-3-chlorobenzoate (CID 6920708) is 4-acetamido-3-chlorobenzoate.
What is the SMILES notation for 4-acetamido-3-chlorobenzoate?
The canonical SMILES for 4-acetamido-3-chlorobenzoate is CC(=O)Nc1ccc(C(=O)[O-])cc1Cl.
What is the InChIKey of 4-acetamido-3-chlorobenzoate?
The InChIKey is ZFQGFRPIFLLJKF-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8ClNO3/c1-5(12)11-8-3-2-6(9(13)14)4-7(8)10/h2-4H,1H3,(H,11,12)(H,13,14)/p-1.
What are the key properties of 4-acetamido-3-chlorobenzoate?
4-acetamido-3-chlorobenzoate has a molecular weight of 212.61 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-3-chlorobenzoate is sourced from PubChem (CID 6920708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).