N-[2-[1-(4-chlorophenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide

C15H21ClN2O — CID 103910232

IUPACN-[2-[1-(4-chlorophenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide
SMILESCC(Cc1ccc(Cl)cc1)NCCNC(=O)C1CC1
InChIInChI=1S/C15H21ClN2O/c1-11(10-12-2-6-14(16)7-3-12)17-8-9-18-15(19)13-4-5-13/h2-3,6-7,11,13,17H,4-5,8-10H2,1H3,(H,18,19)
InChIKeySXZDUMFRMIFKET-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.39
Rot. Bonds7

About N-[2-[1-(4-chlorophenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide

N-[2-[1-(4-chlorophenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide (PubChem CID 103910232) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[2-[1-(4-chlorophenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(4-chlorophenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide
PubChem CID103910232
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[2-[1-(4-chlorophenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide
SMILESCC(Cc1ccc(Cl)cc1)NCCNC(=O)C1CC1
InChIInChI=1S/C15H21ClN2O/c1-11(10-12-2-6-14(16)7-3-12)17-8-9-18-15(19)13-4-5-13/h2-3,6-7,11,13,17H,4-5,8-10H2,1H3,(H,18,19)
InChIKeySXZDUMFRMIFKET-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-[1-(4-chlorophenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide
CID 115706324
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
4-N-[(4-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109148509
N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 112529064
N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113219502
N-[2-(pentan-2-ylamino)ethyl]cyclopropanecarboxamide
CID 75525140
N-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride
CID 160563522
methyl 4-[1-(4-chlorophenyl)propan-2-ylamino]butanoate
CID 103917108
N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide
CID 100733512
N-[4-[2-(2-methylpropylamino)propyl]phenyl]cyclopropanecarboxamide
CID 82262388
1-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149303
N-[2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706405

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-chlorophenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(4-chlorophenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide (CID 103910232) is N-[2-[1-(4-chlorophenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(4-chlorophenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(4-chlorophenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide is CC(Cc1ccc(Cl)cc1)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[1-(4-chlorophenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is SXZDUMFRMIFKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11(10-12-2-6-14(16)7-3-12)17-8-9-18-15(19)13-4-5-13/h2-3,6-7,11,13,17H,4-5,8-10H2,1H3,(H,18,19).
What are the key properties of N-[2-[1-(4-chlorophenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide?
N-[2-[1-(4-chlorophenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 280.80 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-chlorophenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 103910232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).