4-[3-amino-1-(4-fluorophenyl)propyl]-N-methylbenzamide

C17H19FN2O — CID 69116094

IUPAC4-[3-amino-1-(4-fluorophenyl)propyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(C(CCN)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FN2O/c1-20-17(21)14-4-2-12(3-5-14)16(10-11-19)13-6-8-15(18)9-7-13/h2-9,16H,10-11,19H2,1H3,(H,20,21)
InChIKeyAHVZCIIJIWXQEF-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.67
Rot. Bonds5

About 4-[3-amino-1-(4-fluorophenyl)propyl]-N-methylbenzamide

4-[3-amino-1-(4-fluorophenyl)propyl]-N-methylbenzamide (PubChem CID 69116094) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-[3-amino-1-(4-fluorophenyl)propyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[3-amino-1-(4-fluorophenyl)propyl]-N-methylbenzamide
PubChem CID69116094
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name4-[3-amino-1-(4-fluorophenyl)propyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(C(CCN)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FN2O/c1-20-17(21)14-4-2-12(3-5-14)16(10-11-19)13-6-8-15(18)9-7-13/h2-9,16H,10-11,19H2,1H3,(H,20,21)
InChIKeyAHVZCIIJIWXQEF-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
4-amino-3-[1-(4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 63357131
4-fluoro-N-[(1R)-1-phenylpentyl]benzamide
CID 2201408
4-fluorobenzohydrazide
CID 9972
N-methyl-4-(1-methylsulfanylethyl)benzamide
CID 59428965
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
4-fluoro-N-(methylcarbamothioyl)benzamide
CID 4948510
5-amino-3-(4-fluorobenzoyl)pentanoic acid
CID 171115074
3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 4558174
3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81347787
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-1-(4-fluorophenyl)propyl]-N-methylbenzamide?
The IUPAC name of 4-[3-amino-1-(4-fluorophenyl)propyl]-N-methylbenzamide (CID 69116094) is 4-[3-amino-1-(4-fluorophenyl)propyl]-N-methylbenzamide.
What is the SMILES notation for 4-[3-amino-1-(4-fluorophenyl)propyl]-N-methylbenzamide?
The canonical SMILES for 4-[3-amino-1-(4-fluorophenyl)propyl]-N-methylbenzamide is CNC(=O)c1ccc(C(CCN)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[3-amino-1-(4-fluorophenyl)propyl]-N-methylbenzamide?
The InChIKey is AHVZCIIJIWXQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-20-17(21)14-4-2-12(3-5-14)16(10-11-19)13-6-8-15(18)9-7-13/h2-9,16H,10-11,19H2,1H3,(H,20,21).
What are the key properties of 4-[3-amino-1-(4-fluorophenyl)propyl]-N-methylbenzamide?
4-[3-amino-1-(4-fluorophenyl)propyl]-N-methylbenzamide has a molecular weight of 286.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-1-(4-fluorophenyl)propyl]-N-methylbenzamide is sourced from PubChem (CID 69116094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).