2-[(5-acetamido-2-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

C13H13ClN2O4 — CID 119180306

IUPAC2-[(5-acetamido-2-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)C2CC2C(=O)O)c1
InChIInChI=1S/C13H13ClN2O4/c1-6(17)15-7-2-3-10(14)11(4-7)16-12(18)8-5-9(8)13(19)20/h2-4,8-9H,5H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyQMQQVDVDGKHGFH-UHFFFAOYSA-N
MW296.71 g/mol
LogP1.96
Rot. Bonds4

About 2-[(5-acetamido-2-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(5-acetamido-2-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 119180306) has the molecular formula C13H13ClN2O4 and a molecular weight of 296.71 g/mol. Its IUPAC name is 2-[(5-acetamido-2-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-acetamido-2-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID119180306
Molecular FormulaC13H13ClN2O4
Molecular Weight296.71 g/mol
Exact Mass296.06
IUPAC Name2-[(5-acetamido-2-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)C2CC2C(=O)O)c1
InChIInChI=1S/C13H13ClN2O4/c1-6(17)15-7-2-3-10(14)11(4-7)16-12(18)8-5-9(8)13(19)20/h2-4,8-9H,5H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyQMQQVDVDGKHGFH-UHFFFAOYSA-N
XLogP1.96
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-chloro-5-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60942174
2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270465
cis-(1S,2R)-2-[(2-chloro-5-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114092154
5-[[(1R,2S)-2-carboxycyclopropanecarbonyl]amino]-2-chlorobenzoic acid
CID 93366698
trans-(1R,2R)-N-(5-acetamido-2-chlorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 95178804
1-N-(2-chlorophenyl)-2-N-(3,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142847
N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide
CID 119280735
N-(3-acetamido-4-chlorophenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015470
2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 107618657
N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide
CID 119707616
2-N-(3,4-dichlorophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141641
N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide
CID 119280739

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetamido-2-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(5-acetamido-2-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 119180306) is 2-[(5-acetamido-2-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-acetamido-2-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(5-acetamido-2-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is CC(=O)Nc1ccc(Cl)c(NC(=O)C2CC2C(=O)O)c1.
What is the InChIKey of 2-[(5-acetamido-2-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is QMQQVDVDGKHGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4/c1-6(17)15-7-2-3-10(14)11(4-7)16-12(18)8-5-9(8)13(19)20/h2-4,8-9H,5H2,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-[(5-acetamido-2-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(5-acetamido-2-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 296.71 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetamido-2-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119180306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).