4-N-butan-2-yl-1-N-(2,4-difluorophenyl)benzene-1,4-dicarboxamide

C18H18F2N2O2 — CID 109044182

IUPAC4-N-butan-2-yl-1-N-(2,4-difluorophenyl)benzene-1,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H18F2N2O2/c1-3-11(2)21-17(23)12-4-6-13(7-5-12)18(24)22-16-9-8-14(19)10-15(16)20/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyWVWPKNDDTSRSNN-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.75
Rot. Bonds5

About 4-N-butan-2-yl-1-N-(2,4-difluorophenyl)benzene-1,4-dicarboxamide

4-N-butan-2-yl-1-N-(2,4-difluorophenyl)benzene-1,4-dicarboxamide (PubChem CID 109044182) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 4-N-butan-2-yl-1-N-(2,4-difluorophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butan-2-yl-1-N-(2,4-difluorophenyl)benzene-1,4-dicarboxamide
PubChem CID109044182
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name4-N-butan-2-yl-1-N-(2,4-difluorophenyl)benzene-1,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H18F2N2O2/c1-3-11(2)21-17(23)12-4-6-13(7-5-12)18(24)22-16-9-8-14(19)10-15(16)20/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyWVWPKNDDTSRSNN-UHFFFAOYSA-N
XLogP3.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228
N-[4-(2,4-difluoroanilino)-4-oxobutan-2-yl]benzamide
CID 51195160
3-N-butan-2-yl-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109051535
1-N-(2,4-difluorophenyl)-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049743
N-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148674
N-(2,4-difluorophenyl)-4-propoxybenzamide
CID 2295357
N-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732675
N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide
CID 18160924
N-(2,4-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
CID 9095339
4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide
CID 18195856

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-1-N-(2,4-difluorophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-butan-2-yl-1-N-(2,4-difluorophenyl)benzene-1,4-dicarboxamide (CID 109044182) is 4-N-butan-2-yl-1-N-(2,4-difluorophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-butan-2-yl-1-N-(2,4-difluorophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-butan-2-yl-1-N-(2,4-difluorophenyl)benzene-1,4-dicarboxamide is CCC(C)NC(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 4-N-butan-2-yl-1-N-(2,4-difluorophenyl)benzene-1,4-dicarboxamide?
The InChIKey is WVWPKNDDTSRSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-3-11(2)21-17(23)12-4-6-13(7-5-12)18(24)22-16-9-8-14(19)10-15(16)20/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-butan-2-yl-1-N-(2,4-difluorophenyl)benzene-1,4-dicarboxamide?
4-N-butan-2-yl-1-N-(2,4-difluorophenyl)benzene-1,4-dicarboxamide has a molecular weight of 332.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-1-N-(2,4-difluorophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109044182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).