3-acetyl-4-amino-N-[(4-fluorophenyl)methyl]benzamide

C16H15FN2O2 — CID 171538005

IUPAC3-acetyl-4-amino-N-[(4-fluorophenyl)methyl]benzamide
SMILESCC(=O)c1cc(C(=O)NCc2ccc(F)cc2)ccc1N
InChIInChI=1S/C16H15FN2O2/c1-10(20)14-8-12(4-7-15(14)18)16(21)19-9-11-2-5-13(17)6-3-11/h2-8H,9,18H2,1H3,(H,19,21)
InChIKeyGGZYNTYVBIPPAL-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.54
Rot. Bonds4

About 3-acetyl-4-amino-N-[(4-fluorophenyl)methyl]benzamide

3-acetyl-4-amino-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 171538005) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-acetyl-4-amino-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-acetyl-4-amino-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID171538005
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name3-acetyl-4-amino-N-[(4-fluorophenyl)methyl]benzamide
SMILESCC(=O)c1cc(C(=O)NCc2ccc(F)cc2)ccc1N
InChIInChI=1S/C16H15FN2O2/c1-10(20)14-8-12(4-7-15(14)18)16(21)19-9-11-2-5-13(17)6-3-11/h2-8H,9,18H2,1H3,(H,19,21)
InChIKeyGGZYNTYVBIPPAL-UHFFFAOYSA-N
XLogP2.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-acetyl-4-amino-N-[(4-fluorophenyl)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

3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 43436899
3-amino-N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropan-2-yl)benzamide;ethane
CID 171537977
1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 16792678
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
4-amino-N-[(4-fluorophenyl)methyl]-3-prop-2-enoxybenzamide
CID 82069780
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018
4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 62680801
2-amino-N-[(4-chlorophenyl)methyl]-5-fluorobenzamide
CID 43245704
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
N-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide
CID 63210456

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-amino-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 3-acetyl-4-amino-N-[(4-fluorophenyl)methyl]benzamide (CID 171538005) is 3-acetyl-4-amino-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 3-acetyl-4-amino-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 3-acetyl-4-amino-N-[(4-fluorophenyl)methyl]benzamide is CC(=O)c1cc(C(=O)NCc2ccc(F)cc2)ccc1N.
What is the InChIKey of 3-acetyl-4-amino-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is GGZYNTYVBIPPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-10(20)14-8-12(4-7-15(14)18)16(21)19-9-11-2-5-13(17)6-3-11/h2-8H,9,18H2,1H3,(H,19,21).
What are the key properties of 3-acetyl-4-amino-N-[(4-fluorophenyl)methyl]benzamide?
3-acetyl-4-amino-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 286.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-amino-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 171538005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).