methyl 2-acetamido-4-chlorobenzoate

C10H10ClNO3 — CID 2800203

IUPACmethyl 2-acetamido-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(C)=O
InChIInChI=1S/C10H10ClNO3/c1-6(13)12-9-5-7(11)3-4-8(9)10(14)15-2/h3-5H,1-2H3,(H,12,13)
InChIKeyDKFAYQCXBCDRFR-UHFFFAOYSA-N
MW227.65 g/mol
LogP2.09
Rot. Bonds2

About methyl 2-acetamido-4-chlorobenzoate

methyl 2-acetamido-4-chlorobenzoate (PubChem CID 2800203) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is methyl 2-acetamido-4-chlorobenzoate.

Molecular Properties

Compound Namemethyl 2-acetamido-4-chlorobenzoate
PubChem CID2800203
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Namemethyl 2-acetamido-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(C)=O
InChIInChI=1S/C10H10ClNO3/c1-6(13)12-9-5-7(11)3-4-8(9)10(14)15-2/h3-5H,1-2H3,(H,12,13)
InChIKeyDKFAYQCXBCDRFR-UHFFFAOYSA-N
XLogP2.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(5-chloro-2-prop-1-en-2-ylphenyl)acetamide
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methyl 4-chloro-2-[2-(methylamino)propanoylamino]benzoate
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methyl 4-chloro-2-(4-hydroxybutanoylamino)benzoate
CID 79203242
methyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-chlorobenzoate
CID 65264248
methyl 2-(2-aminobutanoylamino)-4-chlorobenzoate
CID 43701983
methyl 4-chloro-2-(sulfamoylamino)benzoate
CID 112573367
3-[(5-chloro-2-methoxycarbonylphenyl)carbamoylamino]propanoic acid
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methyl 4-chloro-2-(furan-2-carbonylamino)benzoate
CID 60630180
methyl 2-(5-bromopentanoylamino)-4-chlorobenzoate
CID 107907432
methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate
CID 2440555

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-4-chlorobenzoate?
The IUPAC name of methyl 2-acetamido-4-chlorobenzoate (CID 2800203) is methyl 2-acetamido-4-chlorobenzoate.
What is the SMILES notation for methyl 2-acetamido-4-chlorobenzoate?
The canonical SMILES for methyl 2-acetamido-4-chlorobenzoate is COC(=O)c1ccc(Cl)cc1NC(C)=O.
What is the InChIKey of methyl 2-acetamido-4-chlorobenzoate?
The InChIKey is DKFAYQCXBCDRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-6(13)12-9-5-7(11)3-4-8(9)10(14)15-2/h3-5H,1-2H3,(H,12,13).
What are the key properties of methyl 2-acetamido-4-chlorobenzoate?
methyl 2-acetamido-4-chlorobenzoate has a molecular weight of 227.65 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-4-chlorobenzoate is sourced from PubChem (CID 2800203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).