N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide

C20H22FN3O3 — CID 3385077

IUPACN-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
SMILESCC(=O)Nc1ccc(NC(=O)C(NC(=O)c2ccccc2F)C(C)C)cc1
InChIInChI=1S/C20H22FN3O3/c1-12(2)18(24-19(26)16-6-4-5-7-17(16)21)20(27)23-15-10-8-14(9-11-15)22-13(3)25/h4-12,18H,1-3H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyNKHPSRGSTLIEJG-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.18
Rot. Bonds6

About N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide

N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide (PubChem CID 3385077) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
PubChem CID3385077
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC NameN-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
SMILESCC(=O)Nc1ccc(NC(=O)C(NC(=O)c2ccccc2F)C(C)C)cc1
InChIInChI=1S/C20H22FN3O3/c1-12(2)18(24-19(26)16-6-4-5-7-17(16)21)20(27)23-15-10-8-14(9-11-15)22-13(3)25/h4-12,18H,1-3H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyNKHPSRGSTLIEJG-UHFFFAOYSA-N
XLogP3.18
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 2664800
N-[(2S)-1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 29195554
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate
CID 9400164
N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide
CID 102165998
2-fluoro-N-[3-methyl-1-[(2-methyl-1H-indol-5-yl)amino]-1-oxobutan-2-yl]benzamide
CID 46414003
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
N-[1-(4-ethoxy-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 42916532
2-chloro-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9210229
2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 51149358
N-[1-(3-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51149888
2-fluoro-N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]benzamide
CID 51237886

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide (CID 3385077) is N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide is CC(=O)Nc1ccc(NC(=O)C(NC(=O)c2ccccc2F)C(C)C)cc1.
What is the InChIKey of N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide?
The InChIKey is NKHPSRGSTLIEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-12(2)18(24-19(26)16-6-4-5-7-17(16)21)20(27)23-15-10-8-14(9-11-15)22-13(3)25/h4-12,18H,1-3H3,(H,22,25)(H,23,27)(H,24,26).
What are the key properties of N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide?
N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide has a molecular weight of 371.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 3385077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).