4-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide

C18H18ClFN2O2 — CID 109043948

IUPAC4-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
SMILESCC(C)CNC(=O)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H18ClFN2O2/c1-11(2)10-21-17(23)12-3-5-13(6-4-12)18(24)22-14-7-8-16(20)15(19)9-14/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGQISTSZGBRTDAB-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.12
Rot. Bonds5

About 4-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide

4-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide (PubChem CID 109043948) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 4-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
PubChem CID109043948
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name4-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
SMILESCC(C)CNC(=O)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H18ClFN2O2/c1-11(2)10-21-17(23)12-3-5-13(6-4-12)18(24)22-14-7-8-16(20)15(19)9-14/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGQISTSZGBRTDAB-UHFFFAOYSA-N
XLogP4.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043947
4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043950
1-N-butyl-4-N-(3-chloro-4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043761
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
4-chloro-3-fluoro-N-(2-methylpropyl)benzamide
CID 103875490
N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
CID 2083480
N-(3-chloro-4-fluorophenyl)-4-methylsulfinylbenzamide
CID 51191615
3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 121261386
N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199
N-(3-chloro-4-fluorophenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111081
4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048834

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide (CID 109043948) is 4-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide is CC(C)CNC(=O)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 4-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide?
The InChIKey is GQISTSZGBRTDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-11(2)10-21-17(23)12-3-5-13(6-4-12)18(24)22-14-7-8-16(20)15(19)9-14/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide?
4-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide has a molecular weight of 348.81 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109043948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).