1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H10ClNO3 — CID 62096058

IUPAC1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C11H10ClNO3/c12-7-2-1-3-8(6-7)13-9(14)11(4-5-11)10(15)16/h1-3,6H,4-5H2,(H,13,14)(H,15,16)
InChIKeyZSZHTVWCHVMVQU-UHFFFAOYSA-N
MW239.66 g/mol
LogP2.14
Rot. Bonds3

About 1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 62096058) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID62096058
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C11H10ClNO3/c12-7-2-1-3-8(6-7)13-9(14)11(4-5-11)10(15)16/h1-3,6H,4-5H2,(H,13,14)(H,15,16)
InChIKeyZSZHTVWCHVMVQU-UHFFFAOYSA-N
XLogP2.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982541
1-N'-(3-acetylphenyl)-1-N-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982529
1-N'-(3-chlorophenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide
CID 108971860
1-[(3-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096054
N-(3-chlorophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972050
1-N-(3-chlorophenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975424
1-N'-(3-chloro-2-methylphenyl)-1-N-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982506
N-(3-chlorophenyl)-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978188
N-(3-chlorophenyl)-1-[(E)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
CID 80591517
1-[(3-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095390
1-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120551523
N-(3-chlorophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
CID 4078240

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 62096058) is 1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1(C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZSZHTVWCHVMVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c12-7-2-1-3-8(6-7)13-9(14)11(4-5-11)10(15)16/h1-3,6H,4-5H2,(H,13,14)(H,15,16).
What are the key properties of 1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 239.66 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62096058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).