N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-4-(methylamino)butanamide

C17H25ClN2O — CID 119749852

IUPACN-[[1-(3-chlorophenyl)cyclopentyl]methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC1(c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C17H25ClN2O/c1-19-11-5-8-16(21)20-13-17(9-2-3-10-17)14-6-4-7-15(18)12-14/h4,6-7,12,19H,2-3,5,8-11,13H2,1H3,(H,20,21)
InChIKeyQRUFPQQQSVFYFN-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.27
Rot. Bonds7

About N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-4-(methylamino)butanamide

N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-4-(methylamino)butanamide (PubChem CID 119749852) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[[1-(3-chlorophenyl)cyclopentyl]methyl]-4-(methylamino)butanamide
PubChem CID119749852
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[[1-(3-chlorophenyl)cyclopentyl]methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC1(c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C17H25ClN2O/c1-19-11-5-8-16(21)20-13-17(9-2-3-10-17)14-6-4-7-15(18)12-14/h4,6-7,12,19H,2-3,5,8-11,13H2,1H3,(H,20,21)
InChIKeyQRUFPQQQSVFYFN-UHFFFAOYSA-N
XLogP3.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.27
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-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119799732
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide
CID 110441339
tert-butyl N-[[1-(3-chlorophenyl)cyclohexyl]methyl]carbamate
CID 70298157
N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119749613
(2R)-2-amino-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
CID 119303910
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448
7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride
CID 119770559
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-4-(2-ethoxyphenoxy)butanamide
CID 52737970
3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide
CID 119295111
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618958
(2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120625678
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 110479509

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-4-(methylamino)butanamide?
The IUPAC name of N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-4-(methylamino)butanamide (CID 119749852) is N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-4-(methylamino)butanamide is CNCCCC(=O)NCC1(c2cccc(Cl)c2)CCCC1.
What is the InChIKey of N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-4-(methylamino)butanamide?
The InChIKey is QRUFPQQQSVFYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-19-11-5-8-16(21)20-13-17(9-2-3-10-17)14-6-4-7-15(18)12-14/h4,6-7,12,19H,2-3,5,8-11,13H2,1H3,(H,20,21).
What are the key properties of N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-4-(methylamino)butanamide?
N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-4-(methylamino)butanamide has a molecular weight of 308.85 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119749852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).