2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide

C17H16F2N2O2 — CID 51604994

IUPAC2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
SMILESCc1ccc(F)cc1NC(=O)[C@H](C)NC(=O)c1ccccc1F
InChIInChI=1S/C17H16F2N2O2/c1-10-7-8-12(18)9-15(10)21-16(22)11(2)20-17(23)13-5-3-4-6-14(13)19/h3-9,11H,1-2H3,(H,20,23)(H,21,22)/t11-/m0/s1
InChIKeyRHBOWOZEEQHVIJ-NSHDSACASA-N
MW318.32 g/mol
LogP3.03
Rot. Bonds4

About 2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide

2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide (PubChem CID 51604994) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
PubChem CID51604994
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
SMILESCc1ccc(F)cc1NC(=O)[C@H](C)NC(=O)c1ccccc1F
InChIInChI=1S/C17H16F2N2O2/c1-10-7-8-12(18)9-15(10)21-16(22)11(2)20-17(23)13-5-3-4-6-14(13)19/h3-9,11H,1-2H3,(H,20,23)(H,21,22)/t11-/m0/s1
InChIKeyRHBOWOZEEQHVIJ-NSHDSACASA-N
XLogP3.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 51604984
N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 51605145
N-[1-(5-fluoro-2-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 134351040
2-fluoro-N-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]benzamide
CID 92664485
N-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 51606045
2-fluoro-N-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]benzamide
CID 51606040
N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 42939047
N-[1-[2-[2-aminopropyl-[(Z)-but-2-enyl]amino]-5-fluoroanilino]-1-oxopropan-2-yl]-2-fluorobenzamide
CID 134351211
2-fluoro-N-[1-[5-fluoro-2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]anilino]-1-oxopropan-2-yl]benzamide
CID 156551079
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
N'-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-N-(2-propan-2-ylphenyl)butanediamide
CID 47000535
N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide
CID 18160924

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide (CID 51604994) is 2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide is Cc1ccc(F)cc1NC(=O)[C@H](C)NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide?
The InChIKey is RHBOWOZEEQHVIJ-NSHDSACASA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-10-7-8-12(18)9-15(10)21-16(22)11(2)20-17(23)13-5-3-4-6-14(13)19/h3-9,11H,1-2H3,(H,20,23)(H,21,22)/t11-/m0/s1.
What are the key properties of 2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide?
2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide has a molecular weight of 318.32 g/mol, XLogP of 3.03, 4 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-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 51604994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).