N-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide

C20H15ClN4O2 — CID 3117312

IUPACN-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)c1
InChIInChI=1S/C20H15ClN4O2/c1-27-17-7-2-4-13(10-17)20(26)22-15-8-9-18-19(12-15)24-25(23-18)16-6-3-5-14(21)11-16/h2-12H,1H3,(H,22,26)
InChIKeyDAGVJAWTOYJETD-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.33
Rot. Bonds4

About N-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide

N-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide (PubChem CID 3117312) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide
PubChem CID3117312
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC NameN-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)c1
InChIInChI=1S/C20H15ClN4O2/c1-27-17-7-2-4-13(10-17)20(26)22-15-8-9-18-19(12-15)24-25(23-18)16-6-3-5-14(21)11-16/h2-12H,1H3,(H,22,26)
InChIKeyDAGVJAWTOYJETD-UHFFFAOYSA-N
XLogP4.33
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide
CID 740259
3-bromo-N-[2-(3-chlorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 19577633
4-tert-butyl-N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide
CID 3117315
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-3,5-dimethoxybenzamide
CID 17220209
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308346
3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide
CID 1333527
3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 29093949
N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-propan-2-yloxybenzamide
CID 17219724
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]pyridine-3-carboxamide
CID 21229425
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-fluorobenzamide
CID 3117301
2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17274693
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 1363610

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide?
The IUPAC name of N-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide (CID 3117312) is N-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide?
The InChIKey is DAGVJAWTOYJETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c1-27-17-7-2-4-13(10-17)20(26)22-15-8-9-18-19(12-15)24-25(23-18)16-6-3-5-14(21)11-16/h2-12H,1H3,(H,22,26).
What are the key properties of N-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide?
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide has a molecular weight of 378.82 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide is sourced from PubChem (CID 3117312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).