3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide

C12H15FN2O3 — CID 110903075

IUPAC3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(=O)Nc1cc(C(=O)NC(C)CO)ccc1F
InChIInChI=1S/C12H15FN2O3/c1-7(6-16)14-12(18)9-3-4-10(13)11(5-9)15-8(2)17/h3-5,7,16H,6H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyZJCIWXMEKWJWFZ-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.89
Rot. Bonds4

About 3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide

3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide (PubChem CID 110903075) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound Name3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide
PubChem CID110903075
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(=O)Nc1cc(C(=O)NC(C)CO)ccc1F
InChIInChI=1S/C12H15FN2O3/c1-7(6-16)14-12(18)9-3-4-10(13)11(5-9)15-8(2)17/h3-5,7,16H,6H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyZJCIWXMEKWJWFZ-UHFFFAOYSA-N
XLogP0.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(1-hydroxypropan-2-yl)-3-sulfanylbenzamide
CID 107029570
3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79031074
4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide
CID 81284566
2-[(3-acetamido-4-fluorobenzoyl)amino]-4-methoxybutanoic acid
CID 120702531
3-acetamido-N-(2-amino-1-cyclopropylethyl)-4-fluorobenzamide
CID 119614425
3-acetamido-N-(3-aminobutyl)-4-fluorobenzamide;hydrochloride
CID 119496404
3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111697564
3-acetamido-N-(3-aminopropyl)-4-fluorobenzamide
CID 119406204
3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide
CID 119506215
3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79030846
N-(1-chloropropan-2-yl)-3,4-difluorobenzamide
CID 114299407
3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119506214

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide?
The IUPAC name of 3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide (CID 110903075) is 3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for 3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide?
The canonical SMILES for 3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide is CC(=O)Nc1cc(C(=O)NC(C)CO)ccc1F.
What is the InChIKey of 3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide?
The InChIKey is ZJCIWXMEKWJWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-7(6-16)14-12(18)9-3-4-10(13)11(5-9)15-8(2)17/h3-5,7,16H,6H2,1-2H3,(H,14,18)(H,15,17).
What are the key properties of 3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide?
3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide has a molecular weight of 254.26 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 110903075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).