2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid

C12H12ClNO3 — CID 60791872

IUPAC2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H12ClNO3/c13-8-3-1-7(2-4-8)6-14-11(15)9-5-10(9)12(16)17/h1-4,9-10H,5-6H2,(H,14,15)(H,16,17)
InChIKeyDSRKRKYVQYCCKH-UHFFFAOYSA-N
MW253.68 g/mol
LogP1.68
Rot. Bonds4

About 2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid

2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60791872) has the molecular formula C12H12ClNO3 and a molecular weight of 253.68 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60791872
Molecular FormulaC12H12ClNO3
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H12ClNO3/c13-8-3-1-7(2-4-8)6-14-11(15)9-5-10(9)12(16)17/h1-4,9-10H,5-6H2,(H,14,15)(H,16,17)
InChIKeyDSRKRKYVQYCCKH-UHFFFAOYSA-N
XLogP1.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792836
trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980
cis-(1S,2R)-2-(pyridin-4-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 676939
trans-(1S,2S)-2-[[4-(methoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131684
2-[(4-cyanophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54936404
1-N-(4-chlorophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135518
trans-(1S,2S)-2-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125119381
trans-(1S,2S)-2-[[4-(4-chlorophenoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 42339176
cis-(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132224
2-[(4-bromo-3-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185191
cis-(1R,2S)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131870

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 60791872) is 2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is DSRKRKYVQYCCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3/c13-8-3-1-7(2-4-8)6-14-11(15)9-5-10(9)12(16)17/h1-4,9-10H,5-6H2,(H,14,15)(H,16,17).
What are the key properties of 2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 253.68 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60791872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).