N-[(4-chlorophenyl)methyl]-N-pentylpyrrolidine-3-carboxamide

C17H25ClN2O — CID 119688890

IUPACN-[(4-chlorophenyl)methyl]-N-pentylpyrrolidine-3-carboxamide
SMILESCCCCCN(Cc1ccc(Cl)cc1)C(=O)C1CCNC1
InChIInChI=1S/C17H25ClN2O/c1-2-3-4-11-20(17(21)15-9-10-19-12-15)13-14-5-7-16(18)8-6-14/h5-8,15,19H,2-4,9-13H2,1H3
InChIKeyHHKNUYSPTUHGII-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.47
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-N-pentylpyrrolidine-3-carboxamide

N-[(4-chlorophenyl)methyl]-N-pentylpyrrolidine-3-carboxamide (PubChem CID 119688890) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-pentylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-pentylpyrrolidine-3-carboxamide
PubChem CID119688890
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[(4-chlorophenyl)methyl]-N-pentylpyrrolidine-3-carboxamide
SMILESCCCCCN(Cc1ccc(Cl)cc1)C(=O)C1CCNC1
InChIInChI=1S/C17H25ClN2O/c1-2-3-4-11-20(17(21)15-9-10-19-12-15)13-14-5-7-16(18)8-6-14/h5-8,15,19H,2-4,9-13H2,1H3
InChIKeyHHKNUYSPTUHGII-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-pentylmorpholine-2-carboxamide
CID 119688888
N,N-dipentylpyrrolidine-3-carboxamide
CID 63005585
N-[2-(4-chlorophenyl)ethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 74241386
N-[(4-chlorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 63005156
N-[(3,4-dichlorophenyl)methyl]-N-ethylpyrrolidine-3-carboxamide
CID 119743617
(2S,4S)-N-[(4-fluorophenyl)methyl]-2-methyl-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 120618183
N-benzyl-N-propylpiperidine-3-carboxamide
CID 43588657
(3S)-N-benzyl-N-propylpiperidine-3-carboxamide
CID 81123216
N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63007100
N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 60945973
N,N-dihexylpiperidine-4-carboxamide
CID 60947458
N-butyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 119316064

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-pentylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-pentylpyrrolidine-3-carboxamide (CID 119688890) is N-[(4-chlorophenyl)methyl]-N-pentylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-pentylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-pentylpyrrolidine-3-carboxamide is CCCCCN(Cc1ccc(Cl)cc1)C(=O)C1CCNC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-pentylpyrrolidine-3-carboxamide?
The InChIKey is HHKNUYSPTUHGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-2-3-4-11-20(17(21)15-9-10-19-12-15)13-14-5-7-16(18)8-6-14/h5-8,15,19H,2-4,9-13H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-pentylpyrrolidine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-N-pentylpyrrolidine-3-carboxamide has a molecular weight of 308.85 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-pentylpyrrolidine-3-carboxamide is sourced from PubChem (CID 119688890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).