4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide

C16H16F2N2O — CID 81352971

IUPAC4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide
SMILESC[C@H](NCc1cc(C(N)=O)ccc1F)c1cccc(F)c1
InChIInChI=1S/C16H16F2N2O/c1-10(11-3-2-4-14(17)8-11)20-9-13-7-12(16(19)21)5-6-15(13)18/h2-8,10,20H,9H2,1H3,(H2,19,21)/t10-/m0/s1
InChIKeyGPPWOJBYPPRZTA-JTQLQIEISA-N
MW290.31 g/mol
LogP2.91
Rot. Bonds5

About 4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide

4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide (PubChem CID 81352971) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide
PubChem CID81352971
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide
SMILESC[C@H](NCc1cc(C(N)=O)ccc1F)c1cccc(F)c1
InChIInChI=1S/C16H16F2N2O/c1-10(11-3-2-4-14(17)8-11)20-9-13-7-12(16(19)21)5-6-15(13)18/h2-8,10,20H,9H2,1H3,(H2,19,21)/t10-/m0/s1
InChIKeyGPPWOJBYPPRZTA-JTQLQIEISA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115761361
4-fluoro-3-[(propan-2-ylamino)methyl]benzamide
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4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 79249549
3-[(but-3-yn-2-ylamino)methyl]-4-fluorobenzamide
CID 114416954
4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide
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3-methyl-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]benzamide
CID 104930103
4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide
CID 43199134
4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide
CID 28620365
2-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzoic acid
CID 103258765
(1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 81381728
3-[(2,3-dimethylbutylamino)methyl]-4-fluorobenzamide
CID 64570943
methyl 4-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]benzoate
CID 28682924

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide?
The IUPAC name of 4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide (CID 81352971) is 4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide?
The canonical SMILES for 4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide is C[C@H](NCc1cc(C(N)=O)ccc1F)c1cccc(F)c1.
What is the InChIKey of 4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide?
The InChIKey is GPPWOJBYPPRZTA-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-10(11-3-2-4-14(17)8-11)20-9-13-7-12(16(19)21)5-6-15(13)18/h2-8,10,20H,9H2,1H3,(H2,19,21)/t10-/m0/s1.
What are the key properties of 4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide?
4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide has a molecular weight of 290.31 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide is sourced from PubChem (CID 81352971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).