2-chloro-N-[4-(diethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide

C20H20ClN5O2 — CID 1242037

IUPAC2-chloro-N-[4-(diethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cc1
InChIInChI=1S/C20H20ClN5O2/c1-3-25(4-2)20(28)14-5-7-15(8-6-14)24-19(27)17-11-16(9-10-18(17)21)26-12-22-23-13-26/h5-13H,3-4H2,1-2H3,(H,24,27)
InChIKeyDNKSEUHSFBABQQ-UHFFFAOYSA-N
MW397.87 g/mol
LogP3.65
Rot. Bonds6

About 2-chloro-N-[4-(diethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide

2-chloro-N-[4-(diethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide (PubChem CID 1242037) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is 2-chloro-N-[4-(diethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(diethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide
PubChem CID1242037
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC Name2-chloro-N-[4-(diethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cc1
InChIInChI=1S/C20H20ClN5O2/c1-3-25(4-2)20(28)14-5-7-15(8-6-14)24-19(27)17-11-16(9-10-18(17)21)26-12-22-23-13-26/h5-13H,3-4H2,1-2H3,(H,24,27)
InChIKeyDNKSEUHSFBABQQ-UHFFFAOYSA-N
XLogP3.65
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-chloro-N-[4-(diethylcarbamoyl)phenyl]benzamide
CID 2603913
2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide
CID 26899774
2-chloro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 2967010
N-[3-(butanoylamino)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide
CID 2986226
3-[[2-chloro-5-(1,2,4-triazol-4-yl)benzoyl]amino]benzoate
CID 6955830
5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
CID 8503683
4-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
CID 40512293
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
N-[4-(diethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39694099
N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide
CID 9047752
2-chloro-N-(2-hydroxy-4-methylphenyl)-5-(1,2,4-triazol-4-yl)benzamide
CID 834469

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(diethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-chloro-N-[4-(diethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide (CID 1242037) is 2-chloro-N-[4-(diethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[4-(diethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-[4-(diethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-(diethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is DNKSEUHSFBABQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-3-25(4-2)20(28)14-5-7-15(8-6-14)24-19(27)17-11-16(9-10-18(17)21)26-12-22-23-13-26/h5-13H,3-4H2,1-2H3,(H,24,27).
What are the key properties of 2-chloro-N-[4-(diethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide?
2-chloro-N-[4-(diethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 397.87 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(diethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 1242037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).