trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide

C14H17ClN2O2 — CID 95594248

IUPACtrans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
SMILESNC(=O)CCCNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O2/c15-12-5-2-1-4-9(12)10-8-11(10)14(19)17-7-3-6-13(16)18/h1-2,4-5,10-11H,3,6-8H2,(H2,16,18)(H,17,19)/t10-,11+/m0/s1
InChIKeyFCYKKFNUGICMLY-WDEREUQCSA-N
MW280.76 g/mol
LogP1.83
Rot. Bonds6

About trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 95594248) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID95594248
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Nametrans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
SMILESNC(=O)CCCNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O2/c15-12-5-2-1-4-9(12)10-8-11(10)14(19)17-7-3-6-13(16)18/h1-2,4-5,10-11H,3,6-8H2,(H2,16,18)(H,17,19)/t10-,11+/m0/s1
InChIKeyFCYKKFNUGICMLY-WDEREUQCSA-N
XLogP1.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]cyclopropane-1-carboxamide
CID 55919373
2-(2-chlorophenyl)-N-[4-(4-methylphenoxy)butyl]cyclopropane-1-carboxamide
CID 55751317
2-(2-chlorophenyl)-N-[4-(4-fluorophenoxy)butyl]cyclopropane-1-carboxamide
CID 55474580
N-[2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-hydroxybenzamide
CID 52531252
2-(2-chlorophenyl)-N-[2-(N-methylanilino)ethyl]cyclopropane-1-carboxamide
CID 55474575
2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 51291805
3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704676
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55522273
2-(2-fluorophenyl)-N-(3-hydroxypropyl)cyclopropane-1-carboxamide
CID 78854955
3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 97324672
2-(2-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]cyclopropane-1-carboxamide
CID 55723456

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide (CID 95594248) is trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide is NC(=O)CCCNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl.
What is the InChIKey of trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is FCYKKFNUGICMLY-WDEREUQCSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-12-5-2-1-4-9(12)10-8-11(10)14(19)17-7-3-6-13(16)18/h1-2,4-5,10-11H,3,6-8H2,(H2,16,18)(H,17,19)/t10-,11+/m0/s1.
What are the key properties of trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 280.76 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95594248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).