N-[2-(4-chlorophenoxy)ethyl]-6-methoxy-N-methyl-2H-benzotriazole-5-carboxamide

C17H17ClN4O3 — CID 75455669

IUPACN-[2-(4-chlorophenoxy)ethyl]-6-methoxy-N-methyl-2H-benzotriazole-5-carboxamide
SMILESCOc1cc2n[nH]nc2cc1C(=O)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN4O3/c1-22(7-8-25-12-5-3-11(18)4-6-12)17(23)13-9-14-15(20-21-19-14)10-16(13)24-2/h3-6,9-10H,7-8H2,1-2H3,(H,19,20,21)
InChIKeyJRNGJJWJEOKJJD-UHFFFAOYSA-N
MW360.80 g/mol
LogP2.77
Rot. Bonds6

About N-[2-(4-chlorophenoxy)ethyl]-6-methoxy-N-methyl-2H-benzotriazole-5-carboxamide

N-[2-(4-chlorophenoxy)ethyl]-6-methoxy-N-methyl-2H-benzotriazole-5-carboxamide (PubChem CID 75455669) has the molecular formula C17H17ClN4O3 and a molecular weight of 360.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-6-methoxy-N-methyl-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-6-methoxy-N-methyl-2H-benzotriazole-5-carboxamide
PubChem CID75455669
Molecular FormulaC17H17ClN4O3
Molecular Weight360.80 g/mol
Exact Mass360.10
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-6-methoxy-N-methyl-2H-benzotriazole-5-carboxamide
SMILESCOc1cc2n[nH]nc2cc1C(=O)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN4O3/c1-22(7-8-25-12-5-3-11(18)4-6-12)17(23)13-9-14-15(20-21-19-14)10-16(13)24-2/h3-6,9-10H,7-8H2,1-2H3,(H,19,20,21)
InChIKeyJRNGJJWJEOKJJD-UHFFFAOYSA-N
XLogP2.77
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 112792660
4-amino-5-chloro-2-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide;hydrochloride
CID 119689180
5-chloro-4-iodo-2-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
CID 55605627
2,4-dimethoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 18098220
N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide
CID 112793987
3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 66482556
N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide
CID 47074782
N-[2-(4-chlorophenoxy)ethyl]-N,2,3-trimethylbenzamide
CID 112792732
5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide
CID 103803146
2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 134028048
N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide
CID 31643858

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-6-methoxy-N-methyl-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-6-methoxy-N-methyl-2H-benzotriazole-5-carboxamide (CID 75455669) is N-[2-(4-chlorophenoxy)ethyl]-6-methoxy-N-methyl-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-6-methoxy-N-methyl-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-6-methoxy-N-methyl-2H-benzotriazole-5-carboxamide is COc1cc2n[nH]nc2cc1C(=O)N(C)CCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-6-methoxy-N-methyl-2H-benzotriazole-5-carboxamide?
The InChIKey is JRNGJJWJEOKJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3/c1-22(7-8-25-12-5-3-11(18)4-6-12)17(23)13-9-14-15(20-21-19-14)10-16(13)24-2/h3-6,9-10H,7-8H2,1-2H3,(H,19,20,21).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-6-methoxy-N-methyl-2H-benzotriazole-5-carboxamide?
N-[2-(4-chlorophenoxy)ethyl]-6-methoxy-N-methyl-2H-benzotriazole-5-carboxamide has a molecular weight of 360.80 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-6-methoxy-N-methyl-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 75455669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).