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

C14H16ClNO3 — CID 119185997

IUPAC2-[2-(3-chlorophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C)(NC(=O)C1CC1C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C14H16ClNO3/c1-14(2,8-4-3-5-9(15)6-8)16-12(17)10-7-11(10)13(18)19/h3-6,10-11H,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHGPAVUWTAFYBLP-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.41
Rot. Bonds4

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

2-[2-(3-chlorophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 119185997) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID119185997
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name2-[2-(3-chlorophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C)(NC(=O)C1CC1C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C14H16ClNO3/c1-14(2,8-4-3-5-9(15)6-8)16-12(17)10-7-11(10)13(18)19/h3-6,10-11H,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHGPAVUWTAFYBLP-UHFFFAOYSA-N
XLogP2.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976301
2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270444
(2S,5R)-5-(aminomethyl)-N-[2-(3-chlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120794225
1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea
CID 110446838
N-tert-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139071
cis-(1S,2R)-2-[1-(3-chlorophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114091892
N-[2-(3-chlorophenyl)propan-2-yl]-4-(trifluoromethyl)benzamide
CID 110445853
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
(3S,4S)-1-[2-(3-chlorophenyl)-2-methylpropanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120951924
1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140819
2-[(2-chloro-6-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 66252015
2-(3-chlorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118326

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(3-chlorophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid (CID 119185997) is 2-[2-(3-chlorophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(3-chlorophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(3-chlorophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid is CC(C)(NC(=O)C1CC1C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is HGPAVUWTAFYBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-14(2,8-4-3-5-9(15)6-8)16-12(17)10-7-11(10)13(18)19/h3-6,10-11H,7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-(3-chlorophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[2-(3-chlorophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 281.74 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119185997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).