3-fluoro-N-[1-(3-methylanilino)-1-oxopropan-2-yl]benzamide

C17H17FN2O2 — CID 46747357

IUPAC3-fluoro-N-[1-(3-methylanilino)-1-oxopropan-2-yl]benzamide
SMILESCc1cccc(NC(=O)C(C)NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C17H17FN2O2/c1-11-5-3-8-15(9-11)20-16(21)12(2)19-17(22)13-6-4-7-14(18)10-13/h3-10,12H,1-2H3,(H,19,22)(H,20,21)
InChIKeyNVDAMIQVXGHFLF-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.89
Rot. Bonds4

About 3-fluoro-N-[1-(3-methylanilino)-1-oxopropan-2-yl]benzamide

3-fluoro-N-[1-(3-methylanilino)-1-oxopropan-2-yl]benzamide (PubChem CID 46747357) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 3-fluoro-N-[1-(3-methylanilino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(3-methylanilino)-1-oxopropan-2-yl]benzamide
PubChem CID46747357
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name3-fluoro-N-[1-(3-methylanilino)-1-oxopropan-2-yl]benzamide
SMILESCc1cccc(NC(=O)C(C)NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C17H17FN2O2/c1-11-5-3-8-15(9-11)20-16(21)12(2)19-17(22)13-6-4-7-14(18)10-13/h3-10,12H,1-2H3,(H,19,22)(H,20,21)
InChIKeyNVDAMIQVXGHFLF-UHFFFAOYSA-N
XLogP2.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 51606082
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922
3-methyl-N-[(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl]benzamide
CID 9040600
(2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide
CID 32704805
2-(carbamoylamino)-N-(3-methylphenyl)propanamide
CID 24643360
2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 46757746
3-fluoro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992916
(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
CID 59393630
N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756514
(2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide
CID 95318688
N-(3-fluorophenyl)-2-(4-methylanilino)propanamide
CID 51242421
3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(3-methylanilino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[1-(3-methylanilino)-1-oxopropan-2-yl]benzamide (CID 46747357) is 3-fluoro-N-[1-(3-methylanilino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[1-(3-methylanilino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[1-(3-methylanilino)-1-oxopropan-2-yl]benzamide is Cc1cccc(NC(=O)C(C)NC(=O)c2cccc(F)c2)c1.
What is the InChIKey of 3-fluoro-N-[1-(3-methylanilino)-1-oxopropan-2-yl]benzamide?
The InChIKey is NVDAMIQVXGHFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-11-5-3-8-15(9-11)20-16(21)12(2)19-17(22)13-6-4-7-14(18)10-13/h3-10,12H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3-fluoro-N-[1-(3-methylanilino)-1-oxopropan-2-yl]benzamide?
3-fluoro-N-[1-(3-methylanilino)-1-oxopropan-2-yl]benzamide has a molecular weight of 300.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(3-methylanilino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 46747357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).