4-amino-N-[(3-chloro-2-fluorophenyl)methyl]-3-fluoropyrrolidine-2-carboxamide

C12H14ClF2N3O — CID 123841622

IUPAC4-amino-N-[(3-chloro-2-fluorophenyl)methyl]-3-fluoropyrrolidine-2-carboxamide
SMILESNC1CNC(C(=O)NCc2cccc(Cl)c2F)C1F
InChIInChI=1S/C12H14ClF2N3O/c13-7-3-1-2-6(9(7)14)4-18-12(19)11-10(15)8(16)5-17-11/h1-3,8,10-11,17H,4-5,16H2,(H,18,19)
InChIKeyKXGIHWKYPLMAOH-UHFFFAOYSA-N
MW289.71 g/mol
LogP0.73
Rot. Bonds3

About 4-amino-N-[(3-chloro-2-fluorophenyl)methyl]-3-fluoropyrrolidine-2-carboxamide

4-amino-N-[(3-chloro-2-fluorophenyl)methyl]-3-fluoropyrrolidine-2-carboxamide (PubChem CID 123841622) has the molecular formula C12H14ClF2N3O and a molecular weight of 289.71 g/mol. Its IUPAC name is 4-amino-N-[(3-chloro-2-fluorophenyl)methyl]-3-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3-chloro-2-fluorophenyl)methyl]-3-fluoropyrrolidine-2-carboxamide
PubChem CID123841622
Molecular FormulaC12H14ClF2N3O
Molecular Weight289.71 g/mol
Exact Mass289.08
IUPAC Name4-amino-N-[(3-chloro-2-fluorophenyl)methyl]-3-fluoropyrrolidine-2-carboxamide
SMILESNC1CNC(C(=O)NCc2cccc(Cl)c2F)C1F
InChIInChI=1S/C12H14ClF2N3O/c13-7-3-1-2-6(9(7)14)4-18-12(19)11-10(15)8(16)5-17-11/h1-3,8,10-11,17H,4-5,16H2,(H,18,19)
InChIKeyKXGIHWKYPLMAOH-UHFFFAOYSA-N
XLogP0.73
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.71
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[(3-chloro-2-fluorophenyl)methyl]-3-fluoropyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chloro-2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hex-5-ene-2-carboxamide
CID 123616279
trans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 139576412
(2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide
CID 130322552
N-[(3-chloro-2-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-6-carboxamide
CID 166772330
(4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide
CID 144912516
(2S,4S)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-4-(hydroxymethyl)pyrrolidine-2-carboxamide
CID 130322558
(1R,3S,5S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-iodo-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 126641393
2-[[(3-chloro-2-fluorophenyl)methylamino]methyl]pyrrolidin-3-amine
CID 123372995
(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 129395726
4-[(3-chloro-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 114489051
N-[(3-chloro-2-fluorophenyl)methyl]pentanamide
CID 156569845
4-amino-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 123698157

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-chloro-2-fluorophenyl)methyl]-3-fluoropyrrolidine-2-carboxamide?
The IUPAC name of 4-amino-N-[(3-chloro-2-fluorophenyl)methyl]-3-fluoropyrrolidine-2-carboxamide (CID 123841622) is 4-amino-N-[(3-chloro-2-fluorophenyl)methyl]-3-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(3-chloro-2-fluorophenyl)methyl]-3-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for 4-amino-N-[(3-chloro-2-fluorophenyl)methyl]-3-fluoropyrrolidine-2-carboxamide is NC1CNC(C(=O)NCc2cccc(Cl)c2F)C1F.
What is the InChIKey of 4-amino-N-[(3-chloro-2-fluorophenyl)methyl]-3-fluoropyrrolidine-2-carboxamide?
The InChIKey is KXGIHWKYPLMAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N3O/c13-7-3-1-2-6(9(7)14)4-18-12(19)11-10(15)8(16)5-17-11/h1-3,8,10-11,17H,4-5,16H2,(H,18,19).
What are the key properties of 4-amino-N-[(3-chloro-2-fluorophenyl)methyl]-3-fluoropyrrolidine-2-carboxamide?
4-amino-N-[(3-chloro-2-fluorophenyl)methyl]-3-fluoropyrrolidine-2-carboxamide has a molecular weight of 289.71 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-chloro-2-fluorophenyl)methyl]-3-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 123841622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).