2-chloro-N-(3-phenyl-3-pyrrolidin-1-ylpropyl)acetamide;hydrochloride

C15H22Cl2N2O — CID 146094450

IUPAC2-chloro-N-(3-phenyl-3-pyrrolidin-1-ylpropyl)acetamide;hydrochloride
SMILESCl.O=C(CCl)NCCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C15H21ClN2O.ClH/c16-12-15(19)17-9-8-14(18-10-4-5-11-18)13-6-2-1-3-7-13;/h1-3,6-7,14H,4-5,8-12H2,(H,17,19);1H
InChIKeyULILLXKZNPEVJB-UHFFFAOYSA-N
MW317.26 g/mol
LogP2.99
Rot. Bonds6

About 2-chloro-N-(3-phenyl-3-pyrrolidin-1-ylpropyl)acetamide;hydrochloride

2-chloro-N-(3-phenyl-3-pyrrolidin-1-ylpropyl)acetamide;hydrochloride (PubChem CID 146094450) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 2-chloro-N-(3-phenyl-3-pyrrolidin-1-ylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-(3-phenyl-3-pyrrolidin-1-ylpropyl)acetamide;hydrochloride
PubChem CID146094450
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name2-chloro-N-(3-phenyl-3-pyrrolidin-1-ylpropyl)acetamide;hydrochloride
SMILESCl.O=C(CCl)NCCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C15H21ClN2O.ClH/c16-12-15(19)17-9-8-14(18-10-4-5-11-18)13-6-2-1-3-7-13;/h1-3,6-7,14H,4-5,8-12H2,(H,17,19);1H
InChIKeyULILLXKZNPEVJB-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 52.99
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

3-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83936530
2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 103514779
(2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride
CID 119831434
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(propan-2-ylamino)acetamide
CID 61249970
3-acetamido-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide
CID 110355080
2-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 119831373
N-(3-anilino-3-phenylpropyl)-2-chloroacetamide
CID 13121261
1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 65465775
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide
CID 124846032
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506628
N-[2-(azepan-1-yl)-2-phenylethyl]-3-(methanesulfonamido)propanamide
CID 118765593
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 43843128

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-phenyl-3-pyrrolidin-1-ylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-chloro-N-(3-phenyl-3-pyrrolidin-1-ylpropyl)acetamide;hydrochloride (CID 146094450) is 2-chloro-N-(3-phenyl-3-pyrrolidin-1-ylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-(3-phenyl-3-pyrrolidin-1-ylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-chloro-N-(3-phenyl-3-pyrrolidin-1-ylpropyl)acetamide;hydrochloride is Cl.O=C(CCl)NCCC(c1ccccc1)N1CCCC1.
What is the InChIKey of 2-chloro-N-(3-phenyl-3-pyrrolidin-1-ylpropyl)acetamide;hydrochloride?
The InChIKey is ULILLXKZNPEVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O.ClH/c16-12-15(19)17-9-8-14(18-10-4-5-11-18)13-6-2-1-3-7-13;/h1-3,6-7,14H,4-5,8-12H2,(H,17,19);1H.
What are the key properties of 2-chloro-N-(3-phenyl-3-pyrrolidin-1-ylpropyl)acetamide;hydrochloride?
2-chloro-N-(3-phenyl-3-pyrrolidin-1-ylpropyl)acetamide;hydrochloride has a molecular weight of 317.26 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-phenyl-3-pyrrolidin-1-ylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 146094450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).