3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide

C19H21FN2O2 — CID 34732619

IUPAC3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1F
InChIInChI=1S/C19H21FN2O2/c1-12(2)11-21-19(24)15-6-4-5-7-17(15)22-18(23)14-9-8-13(3)16(20)10-14/h4-10,12H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyUGPWHPHWKIFHLX-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.77
Rot. Bonds5

About 3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide

3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide (PubChem CID 34732619) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
PubChem CID34732619
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1F
InChIInChI=1S/C19H21FN2O2/c1-12(2)11-21-19(24)15-6-4-5-7-17(15)22-18(23)14-9-8-13(3)16(20)10-14/h4-10,12H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyUGPWHPHWKIFHLX-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide
CID 17407608
2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 55840290
4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 126413403
2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 1318988
3,4-dimethoxy-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 18089928
2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-(2-methylpropyl)benzamide
CID 34731957
[4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl] acetate
CID 1369781
3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 60682262
N-(2-methylpropyl)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzamide
CID 55772351
2-bromo-5-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 34731927
3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide
CID 42919303
ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate
CID 109044011

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide (CID 34732619) is 3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide?
The InChIKey is UGPWHPHWKIFHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-12(2)11-21-19(24)15-6-4-5-7-17(15)22-18(23)14-9-8-13(3)16(20)10-14/h4-10,12H,11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide?
3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide has a molecular weight of 328.39 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 34732619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).