2-fluoro-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide

C19H21FN2O2 — CID 2664800

IUPAC2-fluoro-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)cc1
InChIInChI=1S/C19H21FN2O2/c1-12(2)17(19(24)21-14-10-8-13(3)9-11-14)22-18(23)15-6-4-5-7-16(15)20/h4-12,17H,1-3H3,(H,21,24)(H,22,23)/t17-/m0/s1
InChIKeyFILYPCIJWVQCDW-KRWDZBQOSA-N
MW328.39 g/mol
LogP3.53
Rot. Bonds5

About 2-fluoro-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide

2-fluoro-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide (PubChem CID 2664800) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-fluoro-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
PubChem CID2664800
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name2-fluoro-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)cc1
InChIInChI=1S/C19H21FN2O2/c1-12(2)17(19(24)21-14-10-8-13(3)9-11-14)22-18(23)15-6-4-5-7-16(15)20/h4-12,17H,1-3H3,(H,21,24)(H,22,23)/t17-/m0/s1
InChIKeyFILYPCIJWVQCDW-KRWDZBQOSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 3385077
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate
CID 9400164
2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 51149358
[2-(4-methylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate
CID 78728936
2-fluoro-N-[(2R)-1-(2-methoxy-5-methylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2521734
2-fluoro-N-[3-methyl-1-[(2-methyl-1H-indol-5-yl)amino]-1-oxobutan-2-yl]benzamide
CID 46414003
N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide
CID 102165998
4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 74292353
N-[(2S)-1-(5-chloro-2-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 8928056
N-[(2S)-1-anilino-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 7024146
2-fluoro-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 2679243
N-[1-(4-ethoxy-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 42916532

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide (CID 2664800) is 2-fluoro-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide is Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)cc1.
What is the InChIKey of 2-fluoro-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide?
The InChIKey is FILYPCIJWVQCDW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-12(2)17(19(24)21-14-10-8-13(3)9-11-14)22-18(23)15-6-4-5-7-16(15)20/h4-12,17H,1-3H3,(H,21,24)(H,22,23)/t17-/m0/s1.
What are the key properties of 2-fluoro-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide?
2-fluoro-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide has a molecular weight of 328.39 g/mol, XLogP of 3.53, 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)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 2664800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).