3-chloro-4-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide

C21H17ClN4O — CID 17219708

IUPAC3-chloro-4-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)c(Cl)c4)cc3n2)cc1
InChIInChI=1S/C21H17ClN4O/c1-13-3-8-17(9-4-13)26-24-19-10-7-16(12-20(19)25-26)23-21(27)15-6-5-14(2)18(22)11-15/h3-12H,1-2H3,(H,23,27)
InChIKeyDHKFCTBARGRTPI-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.94
Rot. Bonds3

About 3-chloro-4-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide

3-chloro-4-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide (PubChem CID 17219708) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
PubChem CID17219708
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name3-chloro-4-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)c(Cl)c4)cc3n2)cc1
InChIInChI=1S/C21H17ClN4O/c1-13-3-8-17(9-4-13)26-24-19-10-7-16(12-20(19)25-26)23-21(27)15-6-5-14(2)18(22)11-15/h3-12H,1-2H3,(H,23,27)
InChIKeyDHKFCTBARGRTPI-UHFFFAOYSA-N
XLogP4.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methyl-3-nitrobenzamide
CID 1363588
N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-propan-2-yloxybenzamide
CID 17219724
N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-nitrobenzamide
CID 4264329
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
3-chloro-4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide
CID 1333387
3,5-dimethyl-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
CID 17220018
N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-4-(2-oxochromen-3-yl)benzamide
CID 3365967
3,4,5-triethoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 3861196
4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 29093821
3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide
CID 1333527
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
3,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
CID 17220047

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide?
The IUPAC name of 3-chloro-4-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide (CID 17219708) is 3-chloro-4-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide.
What is the SMILES notation for 3-chloro-4-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide?
The canonical SMILES for 3-chloro-4-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide is Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)c(Cl)c4)cc3n2)cc1.
What is the InChIKey of 3-chloro-4-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide?
The InChIKey is DHKFCTBARGRTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-13-3-8-17(9-4-13)26-24-19-10-7-16(12-20(19)25-26)23-21(27)15-6-5-14(2)18(22)11-15/h3-12H,1-2H3,(H,23,27).
What are the key properties of 3-chloro-4-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide?
3-chloro-4-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide has a molecular weight of 376.85 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide is sourced from PubChem (CID 17219708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).