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

C16H16FNO2 — CID 117061953

IUPAC2-fluoro-N-(1-phenoxypropan-2-yl)benzamide
SMILESCC(COc1ccccc1)NC(=O)c1ccccc1F
InChIInChI=1S/C16H16FNO2/c1-12(11-20-13-7-3-2-4-8-13)18-16(19)14-9-5-6-10-15(14)17/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeySDUFOCUZINVIPF-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.02
Rot. Bonds5

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

2-fluoro-N-(1-phenoxypropan-2-yl)benzamide (PubChem CID 117061953) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-fluoro-N-(1-phenoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(1-phenoxypropan-2-yl)benzamide
PubChem CID117061953
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-fluoro-N-(1-phenoxypropan-2-yl)benzamide
SMILESCC(COc1ccccc1)NC(=O)c1ccccc1F
InChIInChI=1S/C16H16FNO2/c1-12(11-20-13-7-3-2-4-8-13)18-16(19)14-9-5-6-10-15(14)17/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeySDUFOCUZINVIPF-UHFFFAOYSA-N
XLogP3.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 3729415
2,5-dimethyl-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 94625056
2,4-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzamide
CID 94625096
methyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate
CID 95575620
5-[(2-fluorobenzoyl)amino]hexanoic acid
CID 82855274
2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide
CID 86592663
6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid
CID 65286202
2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide
CID 94625062
4-chloro-2-fluoro-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100540757
N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide
CID 115662245
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide
CID 47311353

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-phenoxypropan-2-yl)benzamide?
The IUPAC name of 2-fluoro-N-(1-phenoxypropan-2-yl)benzamide (CID 117061953) is 2-fluoro-N-(1-phenoxypropan-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(1-phenoxypropan-2-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(1-phenoxypropan-2-yl)benzamide is CC(COc1ccccc1)NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(1-phenoxypropan-2-yl)benzamide?
The InChIKey is SDUFOCUZINVIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-12(11-20-13-7-3-2-4-8-13)18-16(19)14-9-5-6-10-15(14)17/h2-10,12H,11H2,1H3,(H,18,19).
What are the key properties of 2-fluoro-N-(1-phenoxypropan-2-yl)benzamide?
2-fluoro-N-(1-phenoxypropan-2-yl)benzamide has a molecular weight of 273.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-phenoxypropan-2-yl)benzamide is sourced from PubChem (CID 117061953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).