3-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]benzamide

C17H19FN2O — CID 62995433

IUPAC3-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
SMILESCC(Cc1ccc(F)cc1)NC(=O)c1cccc(CN)c1
InChIInChI=1S/C17H19FN2O/c1-12(9-13-5-7-16(18)8-6-13)20-17(21)15-4-2-3-14(10-15)11-19/h2-8,10,12H,9,11,19H2,1H3,(H,20,21)
InChIKeyHRRXCVPFHOAWFT-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.65
Rot. Bonds5

About 3-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]benzamide

3-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]benzamide (PubChem CID 62995433) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
PubChem CID62995433
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name3-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
SMILESCC(Cc1ccc(F)cc1)NC(=O)c1cccc(CN)c1
InChIInChI=1S/C17H19FN2O/c1-12(9-13-5-7-16(18)8-6-13)20-17(21)15-4-2-3-14(10-15)11-19/h2-8,10,12H,9,11,19H2,1H3,(H,20,21)
InChIKeyHRRXCVPFHOAWFT-UHFFFAOYSA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-butan-2-ylbenzamide
CID 16778307
3-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]-N-methylbenzamide
CID 75428281
3-(aminomethyl)-N-(3-ethylpentan-2-yl)benzamide
CID 55261527
6-amino-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide
CID 63009864
3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61240501
N-[1-(4-fluorophenyl)propan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 60794170
4-fluoro-3-methyl-N-(1-phenylpropan-2-yl)benzamide
CID 63213334
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide
CID 78919872
methyl 2-[[3-(aminomethyl)benzoyl]amino]-4-methylpentanoate
CID 82546362
3-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
CID 106544298
3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 119044888
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]benzamide?
The IUPAC name of 3-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]benzamide (CID 62995433) is 3-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]benzamide.
What is the SMILES notation for 3-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]benzamide?
The canonical SMILES for 3-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]benzamide is CC(Cc1ccc(F)cc1)NC(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]benzamide?
The InChIKey is HRRXCVPFHOAWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12(9-13-5-7-16(18)8-6-13)20-17(21)15-4-2-3-14(10-15)11-19/h2-8,10,12H,9,11,19H2,1H3,(H,20,21).
What are the key properties of 3-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]benzamide?
3-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]benzamide has a molecular weight of 286.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]benzamide is sourced from PubChem (CID 62995433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).