2-fluoro-N-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]benzamide

C19H21FN2O2 — CID 92664485

IUPAC2-fluoro-N-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]benzamide
SMILESCC(C)c1ccccc1NC(=O)[C@H](C)NC(=O)c1ccccc1F
InChIInChI=1S/C19H21FN2O2/c1-12(2)14-8-5-7-11-17(14)22-18(23)13(3)21-19(24)15-9-4-6-10-16(15)20/h4-13H,1-3H3,(H,21,24)(H,22,23)/t13-/m0/s1
InChIKeyHTMVPEGYJMVSII-ZDUSSCGKSA-N
MW328.39 g/mol
LogP3.71
Rot. Bonds5

About 2-fluoro-N-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]benzamide

2-fluoro-N-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]benzamide (PubChem CID 92664485) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-fluoro-N-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]benzamide
PubChem CID92664485
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name2-fluoro-N-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]benzamide
SMILESCC(C)c1ccccc1NC(=O)[C@H](C)NC(=O)c1ccccc1F
InChIInChI=1S/C19H21FN2O2/c1-12(2)14-8-5-7-11-17(14)22-18(23)13(3)21-19(24)15-9-4-6-10-16(15)20/h4-13H,1-3H3,(H,21,24)(H,22,23)/t13-/m0/s1
InChIKeyHTMVPEGYJMVSII-ZDUSSCGKSA-N
XLogP3.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]benzamide
CID 51606040
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CID 51604994
N-[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 51604984
2-fluoro-N-[1-(1H-indol-4-ylamino)-1-oxopropan-2-yl]benzamide
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N-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 51606045
2,4-dichloro-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 46756631
4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049811
2-fluoro-6-hydroxy-N-(2-propan-2-ylphenyl)benzamide
CID 104916685
2-fluoro-N-[(2R)-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide
CID 7494981
N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 51605145
2-iodo-N-(2-propan-2-ylphenyl)benzamide
CID 615900
1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892439

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]benzamide (CID 92664485) is 2-fluoro-N-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]benzamide is CC(C)c1ccccc1NC(=O)[C@H](C)NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]benzamide?
The InChIKey is HTMVPEGYJMVSII-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-12(2)14-8-5-7-11-17(14)22-18(23)13(3)21-19(24)15-9-4-6-10-16(15)20/h4-13H,1-3H3,(H,21,24)(H,22,23)/t13-/m0/s1.
What are the key properties of 2-fluoro-N-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]benzamide?
2-fluoro-N-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]benzamide has a molecular weight of 328.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]benzamide is sourced from PubChem (CID 92664485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).