3-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

C21H16ClN5O — CID 142786865

IUPAC3-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESNC(=O)c1ccc(Cn2cncn2)c(-c2ccc(Cl)c(-c3ccccn3)c2)c1
InChIInChI=1S/C21H16ClN5O/c22-19-7-6-14(9-18(19)20-3-1-2-8-25-20)17-10-15(21(23)28)4-5-16(17)11-27-13-24-12-26-27/h1-10,12-13H,11H2,(H2,23,28)
InChIKeyCMZKCZJDUGJPJW-UHFFFAOYSA-N
MW389.85 g/mol
LogP3.81
Rot. Bonds5

About 3-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

3-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 142786865) has the molecular formula C21H16ClN5O and a molecular weight of 389.85 g/mol. Its IUPAC name is 3-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID142786865
Molecular FormulaC21H16ClN5O
Molecular Weight389.85 g/mol
Exact Mass389.10
IUPAC Name3-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESNC(=O)c1ccc(Cn2cncn2)c(-c2ccc(Cl)c(-c3ccccn3)c2)c1
InChIInChI=1S/C21H16ClN5O/c22-19-7-6-14(9-18(19)20-3-1-2-8-25-20)17-10-15(21(23)28)4-5-16(17)11-27-13-24-12-26-27/h1-10,12-13H,11H2,(H2,23,28)
InChIKeyCMZKCZJDUGJPJW-UHFFFAOYSA-N
XLogP3.81
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.85
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide
CID 142777433
2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)benzamide
CID 142777383
1-(4-chloro-3-pyridin-2-ylphenyl)-2,2-dimethylpropan-1-one
CID 71105825
N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 52946876
2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide
CID 142777362
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 150867908
3-chloro-4-pyridin-2-ylbenzoic acid
CID 68948514
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 121363912
1-N-(2-anilinoethyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide
CID 154248419
1-(3,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
CID 10038017
1-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyridin-2-ylmethyl)cyclohexa-2,5-diene-1,4-dicarboxamide
CID 142786931
4-(bromomethyl)-3-(4-pyridin-2-ylphenyl)benzoic acid
CID 68550431

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of 3-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 142786865) is 3-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for 3-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for 3-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is NC(=O)c1ccc(Cn2cncn2)c(-c2ccc(Cl)c(-c3ccccn3)c2)c1.
What is the InChIKey of 3-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is CMZKCZJDUGJPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O/c22-19-7-6-14(9-18(19)20-3-1-2-8-25-20)17-10-15(21(23)28)4-5-16(17)11-27-13-24-12-26-27/h1-10,12-13H,11H2,(H2,23,28).
What are the key properties of 3-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
3-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 389.85 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 142786865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).