1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide

C12H16ClN3O — CID 62493299

IUPAC1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide
SMILESNCc1cc(Cl)ccc1N1CCCC1C(N)=O
InChIInChI=1S/C12H16ClN3O/c13-9-3-4-10(8(6-9)7-14)16-5-1-2-11(16)12(15)17/h3-4,6,11H,1-2,5,7,14H2,(H2,15,17)
InChIKeyGGGODEJRWJPEHC-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.25
Rot. Bonds3

About 1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide

1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide (PubChem CID 62493299) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide
PubChem CID62493299
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide
SMILESNCc1cc(Cl)ccc1N1CCCC1C(N)=O
InChIInChI=1S/C12H16ClN3O/c13-9-3-4-10(8(6-9)7-14)16-5-1-2-11(16)12(15)17/h3-4,6,11H,1-2,5,7,14H2,(H2,15,17)
InChIKeyGGGODEJRWJPEHC-UHFFFAOYSA-N
XLogP1.25
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-2-carboxamide
CID 114016618
1-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 43121111
1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide
CID 113295375
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
1-[5-chloro-2-(ethylaminomethyl)phenyl]piperidine-2-carboxamide
CID 114849617
[5-chloro-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine
CID 62492795
1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide
CID 43123585
[2-(azepan-1-yl)-5-chlorophenyl]methanamine
CID 62493124
1-[4-bromo-2-(hydroxymethyl)phenyl]piperidine-2-carboxamide
CID 114061383
1-(2-chloro-4-cyanophenyl)pyrrolidine-2-carboxamide
CID 63087200
1-[2-(aminomethyl)-5-methoxyphenyl]piperidine-2-carboxamide
CID 81299079
1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 171323663

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide (CID 62493299) is 1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide is NCc1cc(Cl)ccc1N1CCCC1C(N)=O.
What is the InChIKey of 1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide?
The InChIKey is GGGODEJRWJPEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-9-3-4-10(8(6-9)7-14)16-5-1-2-11(16)12(15)17/h3-4,6,11H,1-2,5,7,14H2,(H2,15,17).
What are the key properties of 1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide?
1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 62493299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).