4-amino-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide

C12H16ClN3O — CID 123698157

IUPAC4-amino-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide
SMILESNC1CNC(C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C12H16ClN3O/c13-10-4-2-1-3-8(10)6-16-12(17)11-5-9(14)7-15-11/h1-4,9,11,15H,5-7,14H2,(H,16,17)
InChIKeySDXKSWXJBIZJCK-UHFFFAOYSA-N
MW253.73 g/mol
LogP0.65
Rot. Bonds3

About 4-amino-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide

4-amino-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 123698157) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 4-amino-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID123698157
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name4-amino-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide
SMILESNC1CNC(C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C12H16ClN3O/c13-10-4-2-1-3-8(10)6-16-12(17)11-5-9(14)7-15-11/h1-4,9,11,15H,5-7,14H2,(H,16,17)
InChIKeySDXKSWXJBIZJCK-UHFFFAOYSA-N
XLogP0.65
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28944036
3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119673508
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 123830306
(3R)-N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 28514089
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
(2S,4R)-N-[2-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125153528
(2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide
CID 130322552
4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 114332340
4-amino-N-[[2-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]pyrrolidine-2-carboxamide
CID 123231397
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119800227
N-[(2-chlorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide;6-methylisoquinoline
CID 143705584

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-amino-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide (CID 123698157) is 4-amino-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-amino-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide is NC1CNC(C(=O)NCc2ccccc2Cl)C1.
What is the InChIKey of 4-amino-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is SDXKSWXJBIZJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-10-4-2-1-3-8(10)6-16-12(17)11-5-9(14)7-15-11/h1-4,9,11,15H,5-7,14H2,(H,16,17).
What are the key properties of 4-amino-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide?
4-amino-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 123698157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).