3-fluoro-4-methyl-N-(3-methyl-2-oxobutyl)benzamide

C13H16FNO2 — CID 64996528

IUPAC3-fluoro-4-methyl-N-(3-methyl-2-oxobutyl)benzamide
SMILESCc1ccc(C(=O)NCC(=O)C(C)C)cc1F
InChIInChI=1S/C13H16FNO2/c1-8(2)12(16)7-15-13(17)10-5-4-9(3)11(14)6-10/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyVJHJPLHMGNTMQI-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.09
Rot. Bonds4

About 3-fluoro-4-methyl-N-(3-methyl-2-oxobutyl)benzamide

3-fluoro-4-methyl-N-(3-methyl-2-oxobutyl)benzamide (PubChem CID 64996528) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(3-methyl-2-oxobutyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(3-methyl-2-oxobutyl)benzamide
PubChem CID64996528
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name3-fluoro-4-methyl-N-(3-methyl-2-oxobutyl)benzamide
SMILESCc1ccc(C(=O)NCC(=O)C(C)C)cc1F
InChIInChI=1S/C13H16FNO2/c1-8(2)12(16)7-15-13(17)10-5-4-9(3)11(14)6-10/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyVJHJPLHMGNTMQI-UHFFFAOYSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide
CID 42919303
3-fluoro-4-methyl-N-[2-(propan-2-ylcarbamoylamino)ethyl]benzamide
CID 36506645
4-[(3-fluoro-4-methylbenzoyl)amino]-2-methylbutanoic acid
CID 80539086
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 66166822
(2S)-3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 107833177
5-[(3-fluoro-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 104682472
3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79031074
N-(6-bromohexyl)-3-fluoro-4-methylbenzamide
CID 107847799
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9216095
N-(2-aminopentyl)-3-fluoro-4-methylbenzamide
CID 115737742

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(3-methyl-2-oxobutyl)benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-(3-methyl-2-oxobutyl)benzamide (CID 64996528) is 3-fluoro-4-methyl-N-(3-methyl-2-oxobutyl)benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-(3-methyl-2-oxobutyl)benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-(3-methyl-2-oxobutyl)benzamide is Cc1ccc(C(=O)NCC(=O)C(C)C)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-(3-methyl-2-oxobutyl)benzamide?
The InChIKey is VJHJPLHMGNTMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-8(2)12(16)7-15-13(17)10-5-4-9(3)11(14)6-10/h4-6,8H,7H2,1-3H3,(H,15,17).
What are the key properties of 3-fluoro-4-methyl-N-(3-methyl-2-oxobutyl)benzamide?
3-fluoro-4-methyl-N-(3-methyl-2-oxobutyl)benzamide has a molecular weight of 237.27 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(3-methyl-2-oxobutyl)benzamide is sourced from PubChem (CID 64996528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).