2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide

C19H12Cl2N4O — CID 1095349

IUPAC2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
SMILESO=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H12Cl2N4O/c20-12-6-8-15(16(21)10-12)19(26)22-13-7-9-17-18(11-13)24-25(23-17)14-4-2-1-3-5-14/h1-11H,(H,22,26)
InChIKeyUSQUJNOTSNIHJP-UHFFFAOYSA-N
MW383.24 g/mol
LogP4.98
Rot. Bonds3

About 2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide

2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide (PubChem CID 1095349) has the molecular formula C19H12Cl2N4O and a molecular weight of 383.24 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
PubChem CID1095349
Molecular FormulaC19H12Cl2N4O
Molecular Weight383.24 g/mol
Exact Mass382.04
IUPAC Name2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
SMILESO=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H12Cl2N4O/c20-12-6-8-15(16(21)10-12)19(26)22-13-7-9-17-18(11-13)24-25(23-17)14-4-2-1-3-5-14/h1-11H,(H,22,26)
InChIKeyUSQUJNOTSNIHJP-UHFFFAOYSA-N
XLogP4.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219665
N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide
CID 740259
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-fluorobenzamide
CID 3117301
2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219663
N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide
CID 3116204
2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17274693
4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 3116199
2,4-dichloro-N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl]benzamide
CID 21369217
4-tert-butyl-N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide
CID 3117315
3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride
CID 87323399
3,5-dinitro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 3117220
3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide
CID 1333527

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide (CID 1095349) is 2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide is O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide?
The InChIKey is USQUJNOTSNIHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N4O/c20-12-6-8-15(16(21)10-12)19(26)22-13-7-9-17-18(11-13)24-25(23-17)14-4-2-1-3-5-14/h1-11H,(H,22,26).
What are the key properties of 2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide?
2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide has a molecular weight of 383.24 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide is sourced from PubChem (CID 1095349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).