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

C18H19FN2O2 — CID 46465371

IUPAC3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1cccc(NC(=O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C18H19FN2O2/c1-3-9-20-17(22)13-5-4-6-15(10-13)21-18(23)14-8-7-12(2)16(19)11-14/h4-8,10-11H,3,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGGGPUEJOLVNOLT-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.53
Rot. Bonds5

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

3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide (PubChem CID 46465371) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
PubChem CID46465371
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1cccc(NC(=O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C18H19FN2O2/c1-3-9-20-17(22)13-5-4-6-15(10-13)21-18(23)14-8-7-12(2)16(19)11-14/h4-8,10-11H,3,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGGGPUEJOLVNOLT-UHFFFAOYSA-N
XLogP3.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 86991520
N-[3-(dimethylcarbamoyl)phenyl]-3-fluoro-4-methylbenzamide
CID 30379250
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420
3-[[2-(2-fluoroanilino)acetyl]amino]-N-propylbenzamide
CID 54818247
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
3-[(3-butoxybenzoyl)amino]-N-propylbenzamide
CID 17222720
3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)benzamide
CID 9210618
3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17222708
3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050442
3-[[2-(hexadecylamino)acetyl]amino]-N-propylbenzamide
CID 54808714
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-[(4-fluorobenzoyl)amino]-N-(2-hydroxyethyl)benzamide
CID 110888564

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide (CID 46465371) is 3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide is CCCNC(=O)c1cccc(NC(=O)c2ccc(C)c(F)c2)c1.
What is the InChIKey of 3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide?
The InChIKey is GGGPUEJOLVNOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-3-9-20-17(22)13-5-4-6-15(10-13)21-18(23)14-8-7-12(2)16(19)11-14/h4-8,10-11H,3,9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide?
3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide has a molecular weight of 314.36 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 3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 46465371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).