1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide

C15H19ClN2O2 — CID 27742660

IUPAC1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide
SMILESCC(C)NC(=O)CNC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN2O2/c1-10(2)18-13(19)9-17-14(20)15(7-8-15)11-3-5-12(16)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyKURZGIIVHCDDLK-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.01
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide (PubChem CID 27742660) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide
PubChem CID27742660
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide
SMILESCC(C)NC(=O)CNC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN2O2/c1-10(2)18-13(19)9-17-14(20)15(7-8-15)11-3-5-12(16)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyKURZGIIVHCDDLK-UHFFFAOYSA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 449402
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2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarboxylic acid [(R)-1-(4-chloro-phenyl)-ethyl]-amide
CID 44288646
N-[2-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
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CID 44224116
(2S,3S)-3-(4-chloro-2-fluorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895793
(2S,3S)-3-(4-chlorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
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CID 11603611
N-[(2R)-3-(4-chlorophenyl)-1-[[4-(dimethylamino)cyclohexyl]amino]-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 53364234
N-[(2R)-1-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 54586172

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide (CID 27742660) is 1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide is CC(C)NC(=O)CNC(=O)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide?
The InChIKey is KURZGIIVHCDDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10(2)18-13(19)9-17-14(20)15(7-8-15)11-3-5-12(16)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 27742660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).