4-chloro-N-[3-[(4-chlorobenzoyl)amino]-2,4,6-trimethylphenyl]benzamide

C23H20Cl2N2O2 — CID 1268889

IUPAC4-chloro-N-[3-[(4-chlorobenzoyl)amino]-2,4,6-trimethylphenyl]benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(Cl)cc2)c(C)c1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H20Cl2N2O2/c1-13-12-14(2)21(27-23(29)17-6-10-19(25)11-7-17)15(3)20(13)26-22(28)16-4-8-18(24)9-5-16/h4-12H,1-3H3,(H,26,28)(H,27,29)
InChIKeyGWSIACINCNZFSH-UHFFFAOYSA-N
MW427.33 g/mol
LogP6.42
Rot. Bonds4

About 4-chloro-N-[3-[(4-chlorobenzoyl)amino]-2,4,6-trimethylphenyl]benzamide

4-chloro-N-[3-[(4-chlorobenzoyl)amino]-2,4,6-trimethylphenyl]benzamide (PubChem CID 1268889) has the molecular formula C23H20Cl2N2O2 and a molecular weight of 427.33 g/mol. Its IUPAC name is 4-chloro-N-[3-[(4-chlorobenzoyl)amino]-2,4,6-trimethylphenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[(4-chlorobenzoyl)amino]-2,4,6-trimethylphenyl]benzamide
PubChem CID1268889
Molecular FormulaC23H20Cl2N2O2
Molecular Weight427.33 g/mol
Exact Mass426.09
IUPAC Name4-chloro-N-[3-[(4-chlorobenzoyl)amino]-2,4,6-trimethylphenyl]benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(Cl)cc2)c(C)c1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H20Cl2N2O2/c1-13-12-14(2)21(27-23(29)17-6-10-19(25)11-7-17)15(3)20(13)26-22(28)16-4-8-18(24)9-5-16/h4-12H,1-3H3,(H,26,28)(H,27,29)
InChIKeyGWSIACINCNZFSH-UHFFFAOYSA-N
XLogP6.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.33
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-benzamido-2,4,6-trimethylphenyl)benzamide
CID 5084961
N-(4-amino-2-ethyl-6-methylphenyl)-4-chlorobenzamide
CID 50880400
N-(2-bromo-6-methylphenyl)-4-chlorobenzamide
CID 4100281
4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide
CID 163288303
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
N-(4-chlorophenyl)-4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
CID 3780548
N-(4-amino-2,5-dimethylphenyl)-4-chlorobenzamide
CID 103144495
4-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 587314
4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide
CID 110778514
N-[6-(4-chlorophenyl)-4-methyl-2-oxopyran-3-yl]benzamide
CID 1484445
4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide
CID 50880717
N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide
CID 50880342

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[(4-chlorobenzoyl)amino]-2,4,6-trimethylphenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[(4-chlorobenzoyl)amino]-2,4,6-trimethylphenyl]benzamide (CID 1268889) is 4-chloro-N-[3-[(4-chlorobenzoyl)amino]-2,4,6-trimethylphenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[(4-chlorobenzoyl)amino]-2,4,6-trimethylphenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[(4-chlorobenzoyl)amino]-2,4,6-trimethylphenyl]benzamide is Cc1cc(C)c(NC(=O)c2ccc(Cl)cc2)c(C)c1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-[(4-chlorobenzoyl)amino]-2,4,6-trimethylphenyl]benzamide?
The InChIKey is GWSIACINCNZFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O2/c1-13-12-14(2)21(27-23(29)17-6-10-19(25)11-7-17)15(3)20(13)26-22(28)16-4-8-18(24)9-5-16/h4-12H,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 4-chloro-N-[3-[(4-chlorobenzoyl)amino]-2,4,6-trimethylphenyl]benzamide?
4-chloro-N-[3-[(4-chlorobenzoyl)amino]-2,4,6-trimethylphenyl]benzamide has a molecular weight of 427.33 g/mol, XLogP of 6.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[(4-chlorobenzoyl)amino]-2,4,6-trimethylphenyl]benzamide is sourced from PubChem (CID 1268889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).