N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride

C12H16Cl2N2O — CID 119673574

IUPACN-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccc(Cl)c1)C1CCNC1
InChIInChI=1S/C12H15ClN2O.ClH/c13-11-3-1-2-9(6-11)7-15-12(16)10-4-5-14-8-10;/h1-3,6,10,14H,4-5,7-8H2,(H,15,16);1H
InChIKeyACMSPJUKGQMIQU-UHFFFAOYSA-N
MW275.18 g/mol
LogP1.99
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride

N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119673574) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119673574
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC NameN-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccc(Cl)c1)C1CCNC1
InChIInChI=1S/C12H15ClN2O.ClH/c13-11-3-1-2-9(6-11)7-15-12(16)10-4-5-14-8-10;/h1-3,6,10,14H,4-5,7-8H2,(H,15,16);1H
InChIKeyACMSPJUKGQMIQU-UHFFFAOYSA-N
XLogP1.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
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(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 112728690
N-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 63006866
(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 28807337
N-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 63006245
N-[[3-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119767534
N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119842564
N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 55150240
N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 115159517
N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 110471905

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119673574) is N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NCc1cccc(Cl)c1)C1CCNC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is ACMSPJUKGQMIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O.ClH/c13-11-3-1-2-9(6-11)7-15-12(16)10-4-5-14-8-10;/h1-3,6,10,14H,4-5,7-8H2,(H,15,16);1H.
What are the key properties of N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 275.18 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119673574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).