N-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide

C14H19ClN2O — CID 63006245

IUPACN-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide
SMILESCC(Cc1cccc(Cl)c1)NC(=O)C1CCNC1
InChIInChI=1S/C14H19ClN2O/c1-10(7-11-3-2-4-13(15)8-11)17-14(18)12-5-6-16-9-12/h2-4,8,10,12,16H,5-7,9H2,1H3,(H,17,18)
InChIKeyZNWJPPKZLWVRKU-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.00
Rot. Bonds4

About N-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide

N-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide (PubChem CID 63006245) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide
PubChem CID63006245
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide
SMILESCC(Cc1cccc(Cl)c1)NC(=O)C1CCNC1
InChIInChI=1S/C14H19ClN2O/c1-10(7-11-3-2-4-13(15)8-11)17-14(18)12-5-6-16-9-12/h2-4,8,10,12,16H,5-7,9H2,1H3,(H,17,18)
InChIKeyZNWJPPKZLWVRKU-UHFFFAOYSA-N
XLogP2.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119734902
N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63006996
(3R)-N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 51726227
cis-(1S,2R)-2-[1-(3-chlorophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114091892
N-[1-(2-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119814306
(3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide
CID 81123725
(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625
N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 54913857
(3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 129415304
N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81354643
N-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 63010034

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide (CID 63006245) is N-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide is CC(Cc1cccc(Cl)c1)NC(=O)C1CCNC1.
What is the InChIKey of N-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is ZNWJPPKZLWVRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10(7-11-3-2-4-13(15)8-11)17-14(18)12-5-6-16-9-12/h2-4,8,10,12,16H,5-7,9H2,1H3,(H,17,18).
What are the key properties of N-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide?
N-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63006245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).