2-fluoro-N-(1-phenylbutan-2-yl)benzamide

C17H18FNO — CID 2973548

IUPAC2-fluoro-N-(1-phenylbutan-2-yl)benzamide
SMILESCCC(Cc1ccccc1)NC(=O)c1ccccc1F
InChIInChI=1S/C17H18FNO/c1-2-14(12-13-8-4-3-5-9-13)19-17(20)15-10-6-7-11-16(15)18/h3-11,14H,2,12H2,1H3,(H,19,20)
InChIKeyROFWDWBZKHHBRP-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.58
Rot. Bonds5

About 2-fluoro-N-(1-phenylbutan-2-yl)benzamide

2-fluoro-N-(1-phenylbutan-2-yl)benzamide (PubChem CID 2973548) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-fluoro-N-(1-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(1-phenylbutan-2-yl)benzamide
PubChem CID2973548
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name2-fluoro-N-(1-phenylbutan-2-yl)benzamide
SMILESCCC(Cc1ccccc1)NC(=O)c1ccccc1F
InChIInChI=1S/C17H18FNO/c1-2-14(12-13-8-4-3-5-9-13)19-17(20)15-10-6-7-11-16(15)18/h3-11,14H,2,12H2,1H3,(H,19,20)
InChIKeyROFWDWBZKHHBRP-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-chlorobutan-2-yl)-2-fluorobenzamide
CID 114294621
N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
2-nitro-N-(1-phenylbutan-2-yl)benzamide
CID 2972781
N-(1-phenylbutan-2-yl)acetamide
CID 2826983
N-[(2R)-1-phenylbutan-2-yl]acetamide
CID 778652
N-[1-[cyano(ethyl)amino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide
CID 87926831
[(2S)-1-phenylbutan-2-yl]urea
CID 7452634
methyl N-[(2S)-1-phenylbutan-2-yl]carbamate
CID 118461048
5-chloro-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260573
2-fluoro-N-[3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-oxopropyl]benzamide
CID 46990558
2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 104696636
4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673887

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-phenylbutan-2-yl)benzamide?
The IUPAC name of 2-fluoro-N-(1-phenylbutan-2-yl)benzamide (CID 2973548) is 2-fluoro-N-(1-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(1-phenylbutan-2-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(1-phenylbutan-2-yl)benzamide is CCC(Cc1ccccc1)NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(1-phenylbutan-2-yl)benzamide?
The InChIKey is ROFWDWBZKHHBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-2-14(12-13-8-4-3-5-9-13)19-17(20)15-10-6-7-11-16(15)18/h3-11,14H,2,12H2,1H3,(H,19,20).
What are the key properties of 2-fluoro-N-(1-phenylbutan-2-yl)benzamide?
2-fluoro-N-(1-phenylbutan-2-yl)benzamide has a molecular weight of 271.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 2973548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).