N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methoxybenzamide

C20H15ClN4O2 — CID 15998326

IUPACN-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)cc1
InChIInChI=1S/C20H15ClN4O2/c1-27-17-9-2-13(3-10-17)20(26)22-15-6-11-18-19(12-15)24-25(23-18)16-7-4-14(21)5-8-16/h2-12H,1H3,(H,22,26)
InChIKeyHCBBPWIHZNKPBS-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.33
Rot. Bonds4

About N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methoxybenzamide

N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methoxybenzamide (PubChem CID 15998326) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
PubChem CID15998326
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC NameN-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)cc1
InChIInChI=1S/C20H15ClN4O2/c1-27-17-9-2-13(3-10-17)20(26)22-15-6-11-18-19(12-15)24-25(23-18)16-7-4-14(21)5-8-16/h2-12H,1H3,(H,22,26)
InChIKeyHCBBPWIHZNKPBS-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

5-(3-Chlorophenyl)-N-(2-phenyl-2H-1,2,3-benzotriazol-5-YL)furan-2-carboxamide
CID 15991141
N-(6-chloro-2-phenylbenzotriazol-5-yl)-3,5-dimethoxybenzamide
CID 1257972
N-(2-phenyl-5-benzotriazolyl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide
CID 1364199
N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 2208079
N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-3-(3-methylbutoxy)benzamide
CID 15991055
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 1341269
N-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 2206620
N-[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]-4-cyano-2-fluorobenzamide
CID 2235813
N-[2-(4-ethylphenyl)-6-methyl-2H-benzotriazol-5-yl]-4-propoxybenzamide
CID 4552294
N-[2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-ethoxybenzamide
CID 16034446
3-chloro-N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-4-methoxybenzamide
CID 16034820
5-chloro-N-[2-(4-ethylphenyl)-6-methyl-2H-benzotriazol-5-yl]-2-methoxybenzamide
CID 4668866

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methoxybenzamide?
The IUPAC name of N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methoxybenzamide (CID 15998326) is N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methoxybenzamide?
The InChIKey is HCBBPWIHZNKPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c1-27-17-9-2-13(3-10-17)20(26)22-15-6-11-18-19(12-15)24-25(23-18)16-7-4-14(21)5-8-16/h2-12H,1H3,(H,22,26).
What are the key properties of N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methoxybenzamide?
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-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-(4-chlorophenyl)benzotriazol-5-yl]-4-methoxybenzamide is sourced from PubChem (CID 15998326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).