N-(1-benzyl-4-chloro-2-methylpyrrolidin-3-yl)acetamide

C14H19ClN2O — CID 70382898

IUPACN-(1-benzyl-4-chloro-2-methylpyrrolidin-3-yl)acetamide
SMILESCC(=O)NC1C(Cl)CN(Cc2ccccc2)C1C
InChIInChI=1S/C14H19ClN2O/c1-10-14(16-11(2)18)13(15)9-17(10)8-12-6-4-3-5-7-12/h3-7,10,13-14H,8-9H2,1-2H3,(H,16,18)
InChIKeyQHLTZUUQDSRCLM-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.00
Rot. Bonds3

About N-(1-benzyl-4-chloro-2-methylpyrrolidin-3-yl)acetamide

N-(1-benzyl-4-chloro-2-methylpyrrolidin-3-yl)acetamide (PubChem CID 70382898) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-(1-benzyl-4-chloro-2-methylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzyl-4-chloro-2-methylpyrrolidin-3-yl)acetamide
PubChem CID70382898
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-(1-benzyl-4-chloro-2-methylpyrrolidin-3-yl)acetamide
SMILESCC(=O)NC1C(Cl)CN(Cc2ccccc2)C1C
InChIInChI=1S/C14H19ClN2O/c1-10-14(16-11(2)18)13(15)9-17(10)8-12-6-4-3-5-7-12/h3-7,10,13-14H,8-9H2,1-2H3,(H,16,18)
InChIKeyQHLTZUUQDSRCLM-UHFFFAOYSA-N
XLogP2.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R,4R,5S)-1-benzyl-5-methyl-4-(methylamino)pyrrolidin-3-yl]ethanol
CID 100988546
(3R,4S,5S)-1-benzyl-4,5-dimethylpyrrolidin-3-ol
CID 118651472
1-benzyl-3-methylazetidine-2-carboxylic acid
CID 130020571
1-(1-benzyl-3-phenylazetidin-2-yl)ethanone
CID 86209046
(2S,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 101162371
(2R,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 131036325
1-benzyl-3-chloro-2-methylpyrrolidine
CID 67849385
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-[(4aR,7S,8R,8aR)-5-benzyl-8-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydro-[1,3]dioxino[5,4-b]pyridin-7-yl]acetamide
CID 90005144
N-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]acetamide
CID 139918944
N-[(3R,4S,5S,6R)-2-chloro-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-yl]acetamide
CID 54321501
N-[(3S)-1-[(2R)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide
CID 97027820

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-chloro-2-methylpyrrolidin-3-yl)acetamide?
The IUPAC name of N-(1-benzyl-4-chloro-2-methylpyrrolidin-3-yl)acetamide (CID 70382898) is N-(1-benzyl-4-chloro-2-methylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for N-(1-benzyl-4-chloro-2-methylpyrrolidin-3-yl)acetamide?
The canonical SMILES for N-(1-benzyl-4-chloro-2-methylpyrrolidin-3-yl)acetamide is CC(=O)NC1C(Cl)CN(Cc2ccccc2)C1C.
What is the InChIKey of N-(1-benzyl-4-chloro-2-methylpyrrolidin-3-yl)acetamide?
The InChIKey is QHLTZUUQDSRCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-14(16-11(2)18)13(15)9-17(10)8-12-6-4-3-5-7-12/h3-7,10,13-14H,8-9H2,1-2H3,(H,16,18).
What are the key properties of N-(1-benzyl-4-chloro-2-methylpyrrolidin-3-yl)acetamide?
N-(1-benzyl-4-chloro-2-methylpyrrolidin-3-yl)acetamide has a molecular weight of 266.77 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-chloro-2-methylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 70382898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).