1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide

C19H21ClN2O2 — CID 109051168

IUPAC1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C19H21ClN2O2/c1-3-4-10-21-18(23)14-6-5-7-15(12-14)19(24)22-17-9-8-16(20)11-13(17)2/h5-9,11-12H,3-4,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyRLKOLDONQIAXRV-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.43
Rot. Bonds6

About 1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide

1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109051168) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide
PubChem CID109051168
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C19H21ClN2O2/c1-3-4-10-21-18(23)14-6-5-7-15(12-14)19(24)22-17-9-8-16(20)11-13(17)2/h5-9,11-12H,3-4,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyRLKOLDONQIAXRV-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-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051226
1-N-butyl-3-N-[4-chloro-2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109051222
1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109051163
1-N-butyl-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109051150
1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043816
N-(4-chloro-2-methylphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065381
1-N-pentyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
CID 109056346
3-N-(4-chloro-2-methylphenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054705
1-N-butyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051224
N-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17195208
N-(4-chloro-2-methylphenyl)-3-fluorobenzamide
CID 2671206
3-(aminomethyl)-N-(4-chloro-2-methylphenyl)benzamide
CID 82546496

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide (CID 109051168) is 1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide is CCCCNC(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2C)c1.
What is the InChIKey of 1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is RLKOLDONQIAXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-3-4-10-21-18(23)14-6-5-7-15(12-14)19(24)22-17-9-8-16(20)11-13(17)2/h5-9,11-12H,3-4,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide?
1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-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-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109051168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).