(2,3-dichlorophenyl)-(1-phenyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)methanone

C19H15Cl2N3O — CID 118893944

IUPAC(2,3-dichlorophenyl)-(1-phenyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)C1CCc2c(nnn2-c2ccccc2)C1
InChIInChI=1S/C19H15Cl2N3O/c20-15-8-4-7-14(18(15)21)19(25)12-9-10-17-16(11-12)22-23-24(17)13-5-2-1-3-6-13/h1-8,12H,9-11H2
InChIKeySQXKBRFTHBGVCP-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.56
Rot. Bonds3

About (2,3-dichlorophenyl)-(1-phenyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)methanone

(2,3-dichlorophenyl)-(1-phenyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)methanone (PubChem CID 118893944) has the molecular formula C19H15Cl2N3O and a molecular weight of 372.26 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(1-phenyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(1-phenyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)methanone
PubChem CID118893944
Molecular FormulaC19H15Cl2N3O
Molecular Weight372.26 g/mol
Exact Mass371.06
IUPAC Name(2,3-dichlorophenyl)-(1-phenyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)C1CCc2c(nnn2-c2ccccc2)C1
InChIInChI=1S/C19H15Cl2N3O/c20-15-8-4-7-14(18(15)21)19(25)12-9-10-17-16(11-12)22-23-24(17)13-5-2-1-3-6-13/h1-8,12H,9-11H2
InChIKeySQXKBRFTHBGVCP-UHFFFAOYSA-N
XLogP4.56
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,3-dichlorophenyl)carbonyl]-1-phenyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine
CID 86270818
(E)-1-[4-(benzotriazol-1-yl)phenyl]-3-(4-chlorophenyl)prop-2-en-1-one
CID 24970964
2-(Benzotriazol-1-yl)-1-(2,3-dichlorophenyl)ethanone
CID 155540166
(2,3-Dichlorophenyl)(7-methyl-1-phenyl-6,7-dihydro-1H-[1,2,3]triazolo[4,5-c]pyridin-5 (4H)-yl)methanone
CID 86271576
[1-(4-Chlorophenyl)-5-(2-phenylethyl)triazol-4-yl]-(3,4-dichlorophenyl)methanone
CID 134948840
(2,3-Dichlorophenyl)-(7-methyl-1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-yl)methanone
CID 90408915
(2,3-Dichlorophenyl)-[3-(4,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-1-yl)phenyl]methanone
CID 172759087
1-[4-(Benzotriazol-1-yl)-2-chlorophenyl]ethanone
CID 64333765

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(1-phenyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(1-phenyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)methanone (CID 118893944) is (2,3-dichlorophenyl)-(1-phenyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(1-phenyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(1-phenyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)methanone is O=C(c1cccc(Cl)c1Cl)C1CCc2c(nnn2-c2ccccc2)C1.
What is the InChIKey of (2,3-dichlorophenyl)-(1-phenyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)methanone?
The InChIKey is SQXKBRFTHBGVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O/c20-15-8-4-7-14(18(15)21)19(25)12-9-10-17-16(11-12)22-23-24(17)13-5-2-1-3-6-13/h1-8,12H,9-11H2.
What are the key properties of (2,3-dichlorophenyl)-(1-phenyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)methanone?
(2,3-dichlorophenyl)-(1-phenyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)methanone has a molecular weight of 372.26 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(1-phenyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)methanone is sourced from PubChem (CID 118893944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).