4-(aminomethyl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)benzamide

C18H20FN3O — CID 119872678

IUPAC4-(aminomethyl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)benzamide
SMILESNCc1ccc(C(=O)Nc2c(F)cccc2N2CCCC2)cc1
InChIInChI=1S/C18H20FN3O/c19-15-4-3-5-16(22-10-1-2-11-22)17(15)21-18(23)14-8-6-13(12-20)7-9-14/h3-9H,1-2,10-12,20H2,(H,21,23)
InChIKeyXOKPSAZIQOCVHE-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.14
Rot. Bonds4

About 4-(aminomethyl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)benzamide

4-(aminomethyl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 119872678) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)benzamide
PubChem CID119872678
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name4-(aminomethyl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)benzamide
SMILESNCc1ccc(C(=O)Nc2c(F)cccc2N2CCCC2)cc1
InChIInChI=1S/C18H20FN3O/c19-15-4-3-5-16(22-10-1-2-11-22)17(15)21-18(23)14-8-6-13(12-20)7-9-14/h3-9H,1-2,10-12,20H2,(H,21,23)
InChIKeyXOKPSAZIQOCVHE-UHFFFAOYSA-N
XLogP3.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)benzamide 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-(2-fluoro-6-pyrrolidin-1-ylphenyl)-4-(phenoxymethyl)benzamide
CID 56581470
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-indole-5-carboxamide
CID 122135434
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride
CID 119872671
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-methylsulfanylbenzamide
CID 122135045
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(trifluoromethylsulfanyl)acetamide
CID 122133653
N-[3-(2-fluoro-6-pyrrolidin-1-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide
CID 56581398
4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 119828240
3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide
CID 28974181
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 56581466
N-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249520
N-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 55451008
N-(2-amino-6-fluorophenyl)-4-ethylbenzamide
CID 81313700

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)benzamide (CID 119872678) is 4-(aminomethyl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)benzamide is NCc1ccc(C(=O)Nc2c(F)cccc2N2CCCC2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is XOKPSAZIQOCVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-15-4-3-5-16(22-10-1-2-11-22)17(15)21-18(23)14-8-6-13(12-20)7-9-14/h3-9H,1-2,10-12,20H2,(H,21,23).
What are the key properties of 4-(aminomethyl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)benzamide?
4-(aminomethyl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 313.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 119872678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).