4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide

C19H20ClFN2O2 — CID 109048834

IUPAC4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H20ClFN2O2/c1-3-4-11-23(2)19(25)14-7-5-13(6-8-14)18(24)22-15-9-10-17(21)16(20)12-15/h5-10,12H,3-4,11H2,1-2H3,(H,22,24)
InChIKeyYYBBPECAAFELGP-UHFFFAOYSA-N
MW362.83 g/mol
LogP4.60
Rot. Bonds6

About 4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide

4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide (PubChem CID 109048834) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is 4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
PubChem CID109048834
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H20ClFN2O2/c1-3-4-11-23(2)19(25)14-7-5-13(6-8-14)18(24)22-15-9-10-17(21)16(20)12-15/h5-10,12H,3-4,11H2,1-2H3,(H,22,24)
InChIKeyYYBBPECAAFELGP-UHFFFAOYSA-N
XLogP4.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-butyl-2-N-(3-chloro-4-fluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109089978
1-N-butyl-4-N-(3-chloro-4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043761
4-N-butyl-1-N-(3,5-dimethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048813
4-N-butyl-1-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048817
N-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide
CID 4950672
1-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049781
N-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109065518
N-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide
CID 82880148
4-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043948
2-N-butyl-4-N-(3,4-dichlorophenyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109090114
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
N-butyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridazine-3-carboxamide
CID 109125702

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide (CID 109048834) is 4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide is CCCCN(C)C(=O)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide?
The InChIKey is YYBBPECAAFELGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-3-4-11-23(2)19(25)14-7-5-13(6-8-14)18(24)22-15-9-10-17(21)16(20)12-15/h5-10,12H,3-4,11H2,1-2H3,(H,22,24).
What are the key properties of 4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide?
4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide has a molecular weight of 362.83 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109048834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).