N-[(2-chlorophenyl)methyl]-N-methyl-4-pyrrolidin-1-ylpentanamide

C17H25ClN2O — CID 119066296

IUPACN-[(2-chlorophenyl)methyl]-N-methyl-4-pyrrolidin-1-ylpentanamide
SMILESCC(CCC(=O)N(C)Cc1ccccc1Cl)N1CCCC1
InChIInChI=1S/C17H25ClN2O/c1-14(20-11-5-6-12-20)9-10-17(21)19(2)13-15-7-3-4-8-16(15)18/h3-4,7-8,14H,5-6,9-13H2,1-2H3
InChIKeyGHYCJWIYCNOIFH-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.56
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-N-methyl-4-pyrrolidin-1-ylpentanamide

N-[(2-chlorophenyl)methyl]-N-methyl-4-pyrrolidin-1-ylpentanamide (PubChem CID 119066296) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methyl-4-pyrrolidin-1-ylpentanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methyl-4-pyrrolidin-1-ylpentanamide
PubChem CID119066296
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methyl-4-pyrrolidin-1-ylpentanamide
SMILESCC(CCC(=O)N(C)Cc1ccccc1Cl)N1CCCC1
InChIInChI=1S/C17H25ClN2O/c1-14(20-11-5-6-12-20)9-10-17(21)19(2)13-15-7-3-4-8-16(15)18/h3-4,7-8,14H,5-6,9-13H2,1-2H3
InChIKeyGHYCJWIYCNOIFH-UHFFFAOYSA-N
XLogP3.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide
CID 115578615
N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60683172
N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanyl-N-methylacetamide
CID 112790303
3-(2-amino-2-oxoethyl)sulfanyl-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 30827481
(4S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide
CID 126426485
7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride
CID 119682648
(4S)-N-methyl-4-pyrrolidin-1-yl-N-(quinolin-6-ylmethyl)pentanamide
CID 126446117
N-[(2-chlorophenyl)methyl]-N-methyl-4-oxo-4-thiophen-2-ylbutanamide
CID 78768555
1-[(2-chlorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 61416776
N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 60686804
3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 61117836

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-4-pyrrolidin-1-ylpentanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-4-pyrrolidin-1-ylpentanamide (CID 119066296) is N-[(2-chlorophenyl)methyl]-N-methyl-4-pyrrolidin-1-ylpentanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methyl-4-pyrrolidin-1-ylpentanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methyl-4-pyrrolidin-1-ylpentanamide is CC(CCC(=O)N(C)Cc1ccccc1Cl)N1CCCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methyl-4-pyrrolidin-1-ylpentanamide?
The InChIKey is GHYCJWIYCNOIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-14(20-11-5-6-12-20)9-10-17(21)19(2)13-15-7-3-4-8-16(15)18/h3-4,7-8,14H,5-6,9-13H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methyl-4-pyrrolidin-1-ylpentanamide?
N-[(2-chlorophenyl)methyl]-N-methyl-4-pyrrolidin-1-ylpentanamide has a molecular weight of 308.85 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methyl-4-pyrrolidin-1-ylpentanamide is sourced from PubChem (CID 119066296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).