5-chloro-2-methoxy-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)benzamide

C25H19ClN4O2 — CID 22781544

IUPAC5-chloro-2-methoxy-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cc2nn(-c3cccc4ccccc34)nc2cc1C
InChIInChI=1S/C25H19ClN4O2/c1-15-12-21-22(14-20(15)27-25(31)19-13-17(26)10-11-24(19)32-2)29-30(28-21)23-9-5-7-16-6-3-4-8-18(16)23/h3-14H,1-2H3,(H,27,31)
InChIKeyFJHOIAUOWBMRTP-UHFFFAOYSA-N
MW442.91 g/mol
LogP5.80
Rot. Bonds4

About 5-chloro-2-methoxy-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)benzamide

5-chloro-2-methoxy-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)benzamide (PubChem CID 22781544) has the molecular formula C25H19ClN4O2 and a molecular weight of 442.91 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
PubChem CID22781544
Molecular FormulaC25H19ClN4O2
Molecular Weight442.91 g/mol
Exact Mass442.12
IUPAC Name5-chloro-2-methoxy-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cc2nn(-c3cccc4ccccc34)nc2cc1C
InChIInChI=1S/C25H19ClN4O2/c1-15-12-21-22(14-20(15)27-25(31)19-13-17(26)10-11-24(19)32-2)29-30(28-21)23-9-5-7-16-6-3-4-8-18(16)23/h3-14H,1-2H3,(H,27,31)
InChIKeyFJHOIAUOWBMRTP-UHFFFAOYSA-N
XLogP5.80
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.91
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]benzamide
CID 23096867
3-methoxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)naphthalene-2-carboxamide
CID 1345807
2-(4-chlorophenyl)sulfanyl-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)acetamide
CID 23095277
2-methoxy-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
CID 1336954
(E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)prop-2-enamide
CID 2067775
N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylacetamide
CID 23096402
2-methoxy-3-methyl-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
CID 4244782
N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylpropanamide
CID 23098158
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]naphthalene-1-carboxamide
CID 108540845
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-iodobenzamide
CID 1336482
5-chloro-2-methoxy-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17488699
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-chloro-2-methoxybenzamide
CID 2276469

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)benzamide (CID 22781544) is 5-chloro-2-methoxy-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)benzamide is COc1ccc(Cl)cc1C(=O)Nc1cc2nn(-c3cccc4ccccc34)nc2cc1C.
What is the InChIKey of 5-chloro-2-methoxy-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)benzamide?
The InChIKey is FJHOIAUOWBMRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O2/c1-15-12-21-22(14-20(15)27-25(31)19-13-17(26)10-11-24(19)32-2)29-30(28-21)23-9-5-7-16-6-3-4-8-18(16)23/h3-14H,1-2H3,(H,27,31).
What are the key properties of 5-chloro-2-methoxy-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)benzamide?
5-chloro-2-methoxy-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)benzamide has a molecular weight of 442.91 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)benzamide is sourced from PubChem (CID 22781544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).