N-(4-amino-4-oxobutan-2-yl)-4-fluoro-3-methylbenzamide

C12H15FN2O2 — CID 115649751

IUPACN-(4-amino-4-oxobutan-2-yl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)CC(N)=O)ccc1F
InChIInChI=1S/C12H15FN2O2/c1-7-5-9(3-4-10(7)13)12(17)15-8(2)6-11(14)16/h3-5,8H,6H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyKQYMWLZSRLWGBA-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.13
Rot. Bonds4

About N-(4-amino-4-oxobutan-2-yl)-4-fluoro-3-methylbenzamide

N-(4-amino-4-oxobutan-2-yl)-4-fluoro-3-methylbenzamide (PubChem CID 115649751) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is N-(4-amino-4-oxobutan-2-yl)-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutan-2-yl)-4-fluoro-3-methylbenzamide
PubChem CID115649751
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC NameN-(4-amino-4-oxobutan-2-yl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)CC(N)=O)ccc1F
InChIInChI=1S/C12H15FN2O2/c1-7-5-9(3-4-10(7)13)12(17)15-8(2)6-11(14)16/h3-5,8H,6H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyKQYMWLZSRLWGBA-UHFFFAOYSA-N
XLogP1.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(4-amino-4-oxobutan-2-yl)-3-methylbenzamide
CID 113269006
(2S)-4-amino-2-[(4-fluoro-3-methylbenzoyl)amino]-4-oxobutanoic acid
CID 55230934
N-(4-bromobutan-2-yl)-4-fluoro-3-methylbenzamide
CID 83178455
4-fluoro-3-methyl-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 113461612
4-fluoro-3-methyl-N-(1-phenylpropan-2-yl)benzamide
CID 63213334
N-(4-ethylsulfanylbutan-2-yl)-4-fluoro-3-methylbenzamide
CID 113245327
N-(1-amino-4-methylpentan-3-yl)-4-fluoro-3-methylbenzamide
CID 106356719
4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 63213435
N-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide
CID 115622752
N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-3-carboxamide
CID 115674679
3-[(3,4-dimethylbenzoyl)amino]butanoic acid
CID 18370046
N-(4-amino-4-oxobutan-2-yl)-4-sulfanylbenzamide
CID 107035767

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutan-2-yl)-4-fluoro-3-methylbenzamide?
The IUPAC name of N-(4-amino-4-oxobutan-2-yl)-4-fluoro-3-methylbenzamide (CID 115649751) is N-(4-amino-4-oxobutan-2-yl)-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(4-amino-4-oxobutan-2-yl)-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-(4-amino-4-oxobutan-2-yl)-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)NC(C)CC(N)=O)ccc1F.
What is the InChIKey of N-(4-amino-4-oxobutan-2-yl)-4-fluoro-3-methylbenzamide?
The InChIKey is KQYMWLZSRLWGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-7-5-9(3-4-10(7)13)12(17)15-8(2)6-11(14)16/h3-5,8H,6H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of N-(4-amino-4-oxobutan-2-yl)-4-fluoro-3-methylbenzamide?
N-(4-amino-4-oxobutan-2-yl)-4-fluoro-3-methylbenzamide has a molecular weight of 238.26 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutan-2-yl)-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 115649751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).