4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide

C20H23ClN2O2 — CID 109048521

IUPAC4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(C(=O)NC(C)(C)C)cc2)c(Cl)c1
InChIInChI=1S/C20H23ClN2O2/c1-12-10-13(2)17(16(21)11-12)22-18(24)14-6-8-15(9-7-14)19(25)23-20(3,4)5/h6-11H,1-5H3,(H,22,24)(H,23,25)
InChIKeyHSDICVSWUJAYRH-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.74
Rot. Bonds3

About 4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide

4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109048521) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide
PubChem CID109048521
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(C(=O)NC(C)(C)C)cc2)c(Cl)c1
InChIInChI=1S/C20H23ClN2O2/c1-12-10-13(2)17(16(21)11-12)22-18(24)14-6-8-15(9-7-14)19(25)23-20(3,4)5/h6-11H,1-5H3,(H,22,24)(H,23,25)
InChIKeyHSDICVSWUJAYRH-UHFFFAOYSA-N
XLogP4.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 48845732
N'-tert-butyl-N-(2-chloro-4,6-dimethylphenyl)oxamide
CID 108506923
N-(2-chloro-4,6-dimethylphenyl)-4-nitrobenzamide
CID 2673711
N-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide
CID 7749916
N-(2-chloro-4,6-dimethylphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388196
N-(2-chloro-4,6-dimethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4004468
4-bromo-N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]benzamide
CID 112998260
N-(2-chloro-4,6-dimethylphenyl)-4-methylsulfanyl-3-nitrobenzamide
CID 26200107
4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109048535
3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 107999165
4-chloro-N-(2-chloro-4,6-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3972572
N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84550037

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide (CID 109048521) is 4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide is Cc1cc(C)c(NC(=O)c2ccc(C(=O)NC(C)(C)C)cc2)c(Cl)c1.
What is the InChIKey of 4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is HSDICVSWUJAYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-12-10-13(2)17(16(21)11-12)22-18(24)14-6-8-15(9-7-14)19(25)23-20(3,4)5/h6-11H,1-5H3,(H,22,24)(H,23,25).
What are the key properties of 4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide?
4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 358.87 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109048521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).