3-acetamido-5-chloro-4-methylbenzoate

C10H9ClNO3- — CID 7601901

IUPAC3-acetamido-5-chloro-4-methylbenzoate
SMILESCC(=O)Nc1cc(C(=O)[O-])cc(Cl)c1C
InChIInChI=1S/C10H10ClNO3/c1-5-8(11)3-7(10(14)15)4-9(5)12-6(2)13/h3-4H,1-2H3,(H,12,13)(H,14,15)/p-1
InChIKeyZHTXVTVDPHUDGU-UHFFFAOYSA-M
MW226.64 g/mol
LogP0.97
Rot. Bonds2

About 3-acetamido-5-chloro-4-methylbenzoate

3-acetamido-5-chloro-4-methylbenzoate (PubChem CID 7601901) has the molecular formula C10H9ClNO3- and a molecular weight of 226.64 g/mol. Its IUPAC name is 3-acetamido-5-chloro-4-methylbenzoate.

Molecular Properties

Compound Name3-acetamido-5-chloro-4-methylbenzoate
PubChem CID7601901
Molecular FormulaC10H9ClNO3-
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name3-acetamido-5-chloro-4-methylbenzoate
SMILESCC(=O)Nc1cc(C(=O)[O-])cc(Cl)c1C
InChIInChI=1S/C10H10ClNO3/c1-5-8(11)3-7(10(14)15)4-9(5)12-6(2)13/h3-4H,1-2H3,(H,12,13)(H,14,15)/p-1
InChIKeyZHTXVTVDPHUDGU-UHFFFAOYSA-M
XLogP0.97
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-3-chlorobenzoate
CID 6920708
3,4-diacetamidobenzoate
CID 6922666
N-(2,5-dichloro-4-methylphenyl)acetamide
CID 112703957
N-(2,3,4,5-tetramethylphenyl)acetamide
CID 54490294
3-chloro-N-cyclopropyl-4-methyl-5-(methylamino)benzamide
CID 142965782
2-acetamido-5-chlorobenzene-1,4-disulfonyl chloride
CID 91622942
N-(4,5-dichloro-2-sulfamoylphenyl)acetamide
CID 154352075
N-(4-chloro-3-methylthiophen-2-yl)acetamide
CID 156745076
N-(2-chloro-4-hydroxyphenyl)acetamide
CID 14590937
N-(4-chloro-1H-pyrrol-3-yl)acetamide
CID 118026096
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-methylprop-2-enamide
CID 4110221
3-[(4-chlorophenyl)carbamoylamino]-4-methylbenzoate
CID 7657756

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-5-chloro-4-methylbenzoate?
The IUPAC name of 3-acetamido-5-chloro-4-methylbenzoate (CID 7601901) is 3-acetamido-5-chloro-4-methylbenzoate.
What is the SMILES notation for 3-acetamido-5-chloro-4-methylbenzoate?
The canonical SMILES for 3-acetamido-5-chloro-4-methylbenzoate is CC(=O)Nc1cc(C(=O)[O-])cc(Cl)c1C.
What is the InChIKey of 3-acetamido-5-chloro-4-methylbenzoate?
The InChIKey is ZHTXVTVDPHUDGU-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10ClNO3/c1-5-8(11)3-7(10(14)15)4-9(5)12-6(2)13/h3-4H,1-2H3,(H,12,13)(H,14,15)/p-1.
What are the key properties of 3-acetamido-5-chloro-4-methylbenzoate?
3-acetamido-5-chloro-4-methylbenzoate has a molecular weight of 226.64 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-5-chloro-4-methylbenzoate is sourced from PubChem (CID 7601901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).