4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide

C17H19FN2O — CID 62680801

IUPAC4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
SMILESCC(C)c1ccc(CNC(=O)c2ccc(N)c(F)c2)cc1
InChIInChI=1S/C17H19FN2O/c1-11(2)13-5-3-12(4-6-13)10-20-17(21)14-7-8-16(19)15(18)9-14/h3-9,11H,10,19H2,1-2H3,(H,20,21)
InChIKeyDWEGUKIVGXUPNM-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.46
Rot. Bonds4

About 4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide

4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide (PubChem CID 62680801) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
PubChem CID62680801
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
SMILESCC(C)c1ccc(CNC(=O)c2ccc(N)c(F)c2)cc1
InChIInChI=1S/C17H19FN2O/c1-11(2)13-5-3-12(4-6-13)10-20-17(21)14-7-8-16(19)15(18)9-14/h3-9,11H,10,19H2,1-2H3,(H,20,21)
InChIKeyDWEGUKIVGXUPNM-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]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

4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
4-bromo-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 63525830
4-amino-3-fluoro-N-[(4-nitrophenyl)methyl]benzamide
CID 63188689
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 71822293
4-amino-3-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 62678517
3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 43436899
4-amino-N-[(2-ethylphenyl)methyl]-3-fluorobenzamide
CID 64681507
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 38123838
3-acetyl-4-amino-N-[(4-fluorophenyl)methyl]benzamide
CID 171538005
4-[(4-amino-3-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 81072525
6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide
CID 62186973

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The IUPAC name of 4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide (CID 62680801) is 4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide is CC(C)c1ccc(CNC(=O)c2ccc(N)c(F)c2)cc1.
What is the InChIKey of 4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide?
The InChIKey is DWEGUKIVGXUPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-11(2)13-5-3-12(4-6-13)10-20-17(21)14-7-8-16(19)15(18)9-14/h3-9,11H,10,19H2,1-2H3,(H,20,21).
What are the key properties of 4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide?
4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide has a molecular weight of 286.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide is sourced from PubChem (CID 62680801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).