4-fluoro-N-[(1S)-1-phenylpropyl]benzamide

C16H16FNO — CID 781115

IUPAC4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H16FNO/c1-2-15(12-6-4-3-5-7-12)18-16(19)13-8-10-14(17)11-9-13/h3-11,15H,2H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyNBZDLNTWELSDOO-HNNXBMFYSA-N
MW257.31 g/mol
LogP3.71
Rot. Bonds4

About 4-fluoro-N-[(1S)-1-phenylpropyl]benzamide

4-fluoro-N-[(1S)-1-phenylpropyl]benzamide (PubChem CID 781115) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-fluoro-N-[(1S)-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
PubChem CID781115
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H16FNO/c1-2-15(12-6-4-3-5-7-12)18-16(19)13-8-10-14(17)11-9-13/h3-11,15H,2H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyNBZDLNTWELSDOO-HNNXBMFYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
4-fluoro-N-[(1R)-1-phenylpentyl]benzamide
CID 2201408
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
3,4,5-trifluoro-N-(1-phenylpropyl)benzamide
CID 63189526
N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide
CID 28632520
(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid
CID 717556
3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 4558174
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide
CID 166453469

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1S)-1-phenylpropyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1S)-1-phenylpropyl]benzamide (CID 781115) is 4-fluoro-N-[(1S)-1-phenylpropyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1S)-1-phenylpropyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1S)-1-phenylpropyl]benzamide is CC[C@H](NC(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 4-fluoro-N-[(1S)-1-phenylpropyl]benzamide?
The InChIKey is NBZDLNTWELSDOO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-2-15(12-6-4-3-5-7-12)18-16(19)13-8-10-14(17)11-9-13/h3-11,15H,2H2,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of 4-fluoro-N-[(1S)-1-phenylpropyl]benzamide?
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide has a molecular weight of 257.31 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1S)-1-phenylpropyl]benzamide is sourced from PubChem (CID 781115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).