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

C21H16ClFN2O2 — CID 109049900

IUPAC4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H16ClFN2O2/c1-13-12-16(22)6-11-19(13)25-21(27)15-4-2-14(3-5-15)20(26)24-18-9-7-17(23)8-10-18/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyHQRUIIKGYORPMS-UHFFFAOYSA-N
MW382.82 g/mol
LogP5.29
Rot. Bonds4

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

4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide (PubChem CID 109049900) has the molecular formula C21H16ClFN2O2 and a molecular weight of 382.82 g/mol. Its IUPAC name is 4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
PubChem CID109049900
Molecular FormulaC21H16ClFN2O2
Molecular Weight382.82 g/mol
Exact Mass382.09
IUPAC Name4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H16ClFN2O2/c1-13-12-16(22)6-11-19(13)25-21(27)15-4-2-14(3-5-15)20(26)24-18-9-7-17(23)8-10-18/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyHQRUIIKGYORPMS-UHFFFAOYSA-N
XLogP5.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.82
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
4-N-(2,4-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049592
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
N-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244302
N-(4-chloro-2-methylphenyl)-3-fluorobenzamide
CID 2671206
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23935500
2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 1193965
2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49276925
4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide
CID 8714104
2-chloro-N-[4-[(4-chlorobenzoyl)amino]-2-methylphenyl]benzamide
CID 3135769
N-(4-chloro-2-methylphenyl)-4-phenylbenzamide
CID 19174130

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide (CID 109049900) is 4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide is Cc1cc(Cl)ccc1NC(=O)c1ccc(C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
The InChIKey is HQRUIIKGYORPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O2/c1-13-12-16(22)6-11-19(13)25-21(27)15-4-2-14(3-5-15)20(26)24-18-9-7-17(23)8-10-18/h2-12H,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide has a molecular weight of 382.82 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).