N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylbenzamide

C18H19FN2O2 — CID 51605145

IUPACN-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylbenzamide
SMILESCc1cc(F)ccc1NC(=O)[C@@H](C)NC(=O)c1ccccc1C
InChIInChI=1S/C18H19FN2O2/c1-11-6-4-5-7-15(11)18(23)20-13(3)17(22)21-16-9-8-14(19)10-12(16)2/h4-10,13H,1-3H3,(H,20,23)(H,21,22)/t13-/m1/s1
InChIKeyGLEUSZVYJZIEKN-CYBMUJFWSA-N
MW314.36 g/mol
LogP3.20
Rot. Bonds4

About N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylbenzamide

N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylbenzamide (PubChem CID 51605145) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylbenzamide
PubChem CID51605145
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylbenzamide
SMILESCc1cc(F)ccc1NC(=O)[C@@H](C)NC(=O)c1ccccc1C
InChIInChI=1S/C18H19FN2O2/c1-11-6-4-5-7-15(11)18(23)20-13(3)17(22)21-16-9-8-14(19)10-12(16)2/h4-10,13H,1-3H3,(H,20,23)(H,21,22)/t13-/m1/s1
InChIKeyGLEUSZVYJZIEKN-CYBMUJFWSA-N
XLogP3.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-fluoro-2-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 134351040
2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 51604994
N-[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 51604984
5-acetamido-2-chloro-N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 95143326
5-acetamido-2-chloro-N-[1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 50980049
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
2-methoxy-N-[1-(2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 46745823
N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide
CID 18160924
N-(4-fluoro-2-methylphenyl)-2-iodobenzamide
CID 7924517
N-(4-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7751902
N-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 51606045
N-[1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 56738715

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylbenzamide (CID 51605145) is N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylbenzamide is Cc1cc(F)ccc1NC(=O)[C@@H](C)NC(=O)c1ccccc1C.
What is the InChIKey of N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylbenzamide?
The InChIKey is GLEUSZVYJZIEKN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-11-6-4-5-7-15(11)18(23)20-13(3)17(22)21-16-9-8-14(19)10-12(16)2/h4-10,13H,1-3H3,(H,20,23)(H,21,22)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylbenzamide?
N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylbenzamide has a molecular weight of 314.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 51605145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).