N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride

C13H17Cl3N2O — CID 119683877

IUPACN-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCNC1)c1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C13H16Cl2N2O.ClH/c1-8(11-3-2-10(14)6-12(11)15)17-13(18)9-4-5-16-7-9;/h2-3,6,8-9,16H,4-5,7H2,1H3,(H,17,18);1H
InChIKeyZGMJJFPZORPREZ-UHFFFAOYSA-N
MW323.65 g/mol
LogP3.20
Rot. Bonds3

About N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride

N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119683877) has the molecular formula C13H17Cl3N2O and a molecular weight of 323.65 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119683877
Molecular FormulaC13H17Cl3N2O
Molecular Weight323.65 g/mol
Exact Mass322.04
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCNC1)c1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C13H16Cl2N2O.ClH/c1-8(11-3-2-10(14)6-12(11)15)17-13(18)9-4-5-16-7-9;/h2-3,6,8-9,16H,4-5,7H2,1H3,(H,17,18);1H
InChIKeyZGMJJFPZORPREZ-UHFFFAOYSA-N
XLogP3.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.65
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81354643
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
cis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 31200966
(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139607
2-(azetidin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 116674633
(3S)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139439
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625
(3R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-3-carboxamide
CID 81123282
N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 54913857
N-[1-(2,6-difluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63005842
N-[1-(2,4-dichlorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107433640

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119683877) is N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride is CC(NC(=O)C1CCNC1)c1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is ZGMJJFPZORPREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O.ClH/c1-8(11-3-2-10(14)6-12(11)15)17-13(18)9-4-5-16-7-9;/h2-3,6,8-9,16H,4-5,7H2,1H3,(H,17,18);1H.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 323.65 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119683877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).