N-[(1R)-1-(4-fluorophenyl)but-3-enyl]benzamide

C17H16FNO — CID 101454749

IUPACN-[(1R)-1-(4-fluorophenyl)but-3-enyl]benzamide
SMILESC=CC[C@@H](NC(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H16FNO/c1-2-6-16(13-9-11-15(18)12-10-13)19-17(20)14-7-4-3-5-8-14/h2-5,7-12,16H,1,6H2,(H,19,20)/t16-/m1/s1
InChIKeyUSOZDSIQCCHWJY-MRXNPFEDSA-N
MW269.32 g/mol
LogP3.87
Rot. Bonds5

About N-[(1R)-1-(4-fluorophenyl)but-3-enyl]benzamide

N-[(1R)-1-(4-fluorophenyl)but-3-enyl]benzamide (PubChem CID 101454749) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)but-3-enyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)but-3-enyl]benzamide
PubChem CID101454749
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC NameN-[(1R)-1-(4-fluorophenyl)but-3-enyl]benzamide
SMILESC=CC[C@@H](NC(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H16FNO/c1-2-6-16(13-9-11-15(18)12-10-13)19-17(20)14-7-4-3-5-8-14/h2-5,7-12,16H,1,6H2,(H,19,20)/t16-/m1/s1
InChIKeyUSOZDSIQCCHWJY-MRXNPFEDSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid
CID 717556
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide
CID 166453469
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
4-fluoro-N-pent-4-en-2-ylbenzamide
CID 115631330
3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 4558174
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
N-[(4S,5S,6R)-5,6-dihydroxyhept-1-en-4-yl]benzamide
CID 12775367
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
N-[(1R)-1-phenylbut-3-enyl]acetamide
CID 40521523
N-(1,2-diphenylpent-4-enyl)benzamide
CID 2794125
4-fluoro-N-[(1R)-1-phenylpentyl]benzamide
CID 2201408
N-[3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 46647738

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)but-3-enyl]benzamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)but-3-enyl]benzamide (CID 101454749) is N-[(1R)-1-(4-fluorophenyl)but-3-enyl]benzamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)but-3-enyl]benzamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)but-3-enyl]benzamide is C=CC[C@@H](NC(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)but-3-enyl]benzamide?
The InChIKey is USOZDSIQCCHWJY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16FNO/c1-2-6-16(13-9-11-15(18)12-10-13)19-17(20)14-7-4-3-5-8-14/h2-5,7-12,16H,1,6H2,(H,19,20)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)but-3-enyl]benzamide?
N-[(1R)-1-(4-fluorophenyl)but-3-enyl]benzamide has a molecular weight of 269.32 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)but-3-enyl]benzamide is sourced from PubChem (CID 101454749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).