N-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide

C18H19FN2O2 — CID 51606045

IUPACN-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
SMILESCc1cccc(C)c1NC(=O)[C@H](C)NC(=O)c1ccccc1F
InChIInChI=1S/C18H19FN2O2/c1-11-7-6-8-12(2)16(11)21-17(22)13(3)20-18(23)14-9-4-5-10-15(14)19/h4-10,13H,1-3H3,(H,20,23)(H,21,22)/t13-/m0/s1
InChIKeyCFRRSUBLCMYOSP-ZDUSSCGKSA-N
MW314.36 g/mol
LogP3.20
Rot. Bonds4

About N-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide

N-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide (PubChem CID 51606045) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
PubChem CID51606045
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
SMILESCc1cccc(C)c1NC(=O)[C@H](C)NC(=O)c1ccccc1F
InChIInChI=1S/C18H19FN2O2/c1-11-7-6-8-12(2)16(11)21-17(22)13(3)20-18(23)14-9-4-5-10-15(14)19/h4-10,13H,1-3H3,(H,20,23)(H,21,22)/t13-/m0/s1
InChIKeyCFRRSUBLCMYOSP-ZDUSSCGKSA-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-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
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
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
N-[2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]-2-fluorobenzamide
CID 3308582
2-fluoro-N-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]benzamide
CID 92664485
N-[4-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide
CID 22777805
2-fluoro-N-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]benzamide
CID 51606040
N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 51605145
2-fluoro-N-[1-(1H-indol-4-ylamino)-1-oxopropan-2-yl]benzamide
CID 134351169
N-[(2R)-1-[2-(2-fluorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 9402546
2-fluoro-N-[(2R)-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide
CID 7494981

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide (CID 51606045) is N-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide is Cc1cccc(C)c1NC(=O)[C@H](C)NC(=O)c1ccccc1F.
What is the InChIKey of N-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide?
The InChIKey is CFRRSUBLCMYOSP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-11-7-6-8-12(2)16(11)21-17(22)13(3)20-18(23)14-9-4-5-10-15(14)19/h4-10,13H,1-3H3,(H,20,23)(H,21,22)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide?
N-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide 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-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 51606045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).