2,5-dichloro-N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]benzamide

C17H14Cl2N4O — CID 50880772

IUPAC2,5-dichloro-N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]benzamide
SMILESCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H14Cl2N4O/c1-10-5-13(23-8-20-21-9-23)6-11(2)16(10)22-17(24)14-7-12(18)3-4-15(14)19/h3-9H,1-2H3,(H,22,24)
InChIKeyGWERDBXXSBXXFF-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.44
Rot. Bonds3

About 2,5-dichloro-N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]benzamide

2,5-dichloro-N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]benzamide (PubChem CID 50880772) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is 2,5-dichloro-N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]benzamide
PubChem CID50880772
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC Name2,5-dichloro-N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]benzamide
SMILESCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H14Cl2N4O/c1-10-5-13(23-8-20-21-9-23)6-11(2)16(10)22-17(24)14-7-12(18)3-4-15(14)19/h3-9H,1-2H3,(H,22,24)
InChIKeyGWERDBXXSBXXFF-UHFFFAOYSA-N
XLogP4.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide
CID 50881395
2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 45284555
2-chloro-N-(2-hydroxy-4-methylphenyl)-5-(1,2,4-triazol-4-yl)benzamide
CID 834469
2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 670750
2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691317
2,5-dichloro-N-(3,5-dimethylphenyl)benzamide
CID 965625
2,5-dichloro-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55643315
2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 36559242
5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid
CID 63653152
5-chloro-N-(2-chloro-6-methylphenyl)-2-fluorobenzamide
CID 66254946
N-(5-amino-3-methyl-2-pyridinyl)-2,5-dichlorobenzamide
CID 112555309
2-chloro-N-[4-(diethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 1242037

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]benzamide (CID 50880772) is 2,5-dichloro-N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]benzamide is Cc1cc(-n2cnnc2)cc(C)c1NC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]benzamide?
The InChIKey is GWERDBXXSBXXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c1-10-5-13(23-8-20-21-9-23)6-11(2)16(10)22-17(24)14-7-12(18)3-4-15(14)19/h3-9H,1-2H3,(H,22,24).
What are the key properties of 2,5-dichloro-N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]benzamide?
2,5-dichloro-N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]benzamide has a molecular weight of 361.23 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 50880772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).