N-[2-[1-(3-chlorophenyl)propylamino]ethyl]cyclopropanecarboxamide

C15H21ClN2O — CID 115667883

IUPACN-[2-[1-(3-chlorophenyl)propylamino]ethyl]cyclopropanecarboxamide
SMILESCCC(NCCNC(=O)C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-2-14(12-4-3-5-13(16)10-12)17-8-9-18-15(19)11-6-7-11/h3-5,10-11,14,17H,2,6-9H2,1H3,(H,18,19)
InChIKeyUMRLDCIJLBVMJL-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.91
Rot. Bonds7

About N-[2-[1-(3-chlorophenyl)propylamino]ethyl]cyclopropanecarboxamide

N-[2-[1-(3-chlorophenyl)propylamino]ethyl]cyclopropanecarboxamide (PubChem CID 115667883) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[2-[1-(3-chlorophenyl)propylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(3-chlorophenyl)propylamino]ethyl]cyclopropanecarboxamide
PubChem CID115667883
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[2-[1-(3-chlorophenyl)propylamino]ethyl]cyclopropanecarboxamide
SMILESCCC(NCCNC(=O)C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-2-14(12-4-3-5-13(16)10-12)17-8-9-18-15(19)11-6-7-11/h3-5,10-11,14,17H,2,6-9H2,1H3,(H,18,19)
InChIKeyUMRLDCIJLBVMJL-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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-[3-[1-(3-chlorophenyl)propylamino]phenyl]cyclopropanecarboxamide
CID 112815872
N-[2-[1-(4-fluorophenyl)propylamino]ethyl]cyclopropanecarboxamide
CID 115641196
N-[2-[1-(4-bromophenyl)propylamino]ethyl]cyclopropanecarboxamide
CID 115697061
3-[1-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
CID 115667904
N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclopentanecarboxamide
CID 100695751
1-[1-(3-chlorophenyl)propylamino]pentan-3-ol
CID 113262773
N-butyl-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 95158904
4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144371
2-[1-(3-chlorophenyl)propylamino]ethanesulfonamide
CID 43551886
1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea
CID 110894209
N-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine
CID 99780755
1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine
CID 43196151

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-chlorophenyl)propylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(3-chlorophenyl)propylamino]ethyl]cyclopropanecarboxamide (CID 115667883) is N-[2-[1-(3-chlorophenyl)propylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(3-chlorophenyl)propylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(3-chlorophenyl)propylamino]ethyl]cyclopropanecarboxamide is CCC(NCCNC(=O)C1CC1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-[1-(3-chlorophenyl)propylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is UMRLDCIJLBVMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-2-14(12-4-3-5-13(16)10-12)17-8-9-18-15(19)11-6-7-11/h3-5,10-11,14,17H,2,6-9H2,1H3,(H,18,19).
What are the key properties of N-[2-[1-(3-chlorophenyl)propylamino]ethyl]cyclopropanecarboxamide?
N-[2-[1-(3-chlorophenyl)propylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 280.80 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-chlorophenyl)propylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115667883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).