1-N-butyl-4-N-(3-chloro-4-methylphenyl)benzene-1,4-dicarboxamide

C19H21ClN2O2 — CID 109043760

IUPAC1-N-butyl-4-N-(3-chloro-4-methylphenyl)benzene-1,4-dicarboxamide
SMILESCCCCNC(=O)c1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O2/c1-3-4-11-21-18(23)14-6-8-15(9-7-14)19(24)22-16-10-5-13(2)17(20)12-16/h5-10,12H,3-4,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCNSUIJUQRXHZDW-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.43
Rot. Bonds6

About 1-N-butyl-4-N-(3-chloro-4-methylphenyl)benzene-1,4-dicarboxamide

1-N-butyl-4-N-(3-chloro-4-methylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109043760) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-N-butyl-4-N-(3-chloro-4-methylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-4-N-(3-chloro-4-methylphenyl)benzene-1,4-dicarboxamide
PubChem CID109043760
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-N-butyl-4-N-(3-chloro-4-methylphenyl)benzene-1,4-dicarboxamide
SMILESCCCCNC(=O)c1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O2/c1-3-4-11-21-18(23)14-6-8-15(9-7-14)19(24)22-16-10-5-13(2)17(20)12-16/h5-10,12H,3-4,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCNSUIJUQRXHZDW-UHFFFAOYSA-N
XLogP4.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-butyl-4-N-(3,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043815
1-N-butyl-4-N-(3-chloro-4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043761
1-N-butyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051224
1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043732
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043947
N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide
CID 2984948
N-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17195208
4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide
CID 109043765
4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 2187837
N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide
CID 124529536
4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109079353

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-4-N-(3-chloro-4-methylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-butyl-4-N-(3-chloro-4-methylphenyl)benzene-1,4-dicarboxamide (CID 109043760) is 1-N-butyl-4-N-(3-chloro-4-methylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-butyl-4-N-(3-chloro-4-methylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-butyl-4-N-(3-chloro-4-methylphenyl)benzene-1,4-dicarboxamide is CCCCNC(=O)c1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of 1-N-butyl-4-N-(3-chloro-4-methylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is CNSUIJUQRXHZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-3-4-11-21-18(23)14-6-8-15(9-7-14)19(24)22-16-10-5-13(2)17(20)12-16/h5-10,12H,3-4,11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-butyl-4-N-(3-chloro-4-methylphenyl)benzene-1,4-dicarboxamide?
1-N-butyl-4-N-(3-chloro-4-methylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 344.84 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-4-N-(3-chloro-4-methylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109043760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).