2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H10ClNO3 — CID 53270444

IUPAC2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H10ClNO3/c12-6-2-1-3-7(4-6)13-10(14)8-5-9(8)11(15)16/h1-4,8-9H,5H2,(H,13,14)(H,15,16)
InChIKeyVMNUHQREQZOQEP-UHFFFAOYSA-N
MW239.66 g/mol
LogP2.00
Rot. Bonds3

About 2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 53270444) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID53270444
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H10ClNO3/c12-6-2-1-3-7(4-6)13-10(14)8-5-9(8)11(15)16/h1-4,8-9H,5H2,(H,13,14)(H,15,16)
InChIKeyVMNUHQREQZOQEP-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140819
trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 792382
cis-(1S,2R)-2-[(3-hydroxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 11877929
3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549836
N-(3-chlorophenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131903
2-N-(3-chlorophenyl)-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109135664
1-N-(3-chlorophenyl)-2-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131518
2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142885
2-N-(3-chlorophenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141918
1-N-butan-2-yl-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109131711
2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 53270434
1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142871

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 53270444) is 2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is VMNUHQREQZOQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c12-6-2-1-3-7(4-6)13-10(14)8-5-9(8)11(15)16/h1-4,8-9H,5H2,(H,13,14)(H,15,16).
What are the key properties of 2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 239.66 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 53270444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).