N-(2-chloro-4,6-dimethoxyphenyl)-1-propylbenzotriazole-5-carboxamide

C18H19ClN4O3 — CID 53051782

IUPACN-(2-chloro-4,6-dimethoxyphenyl)-1-propylbenzotriazole-5-carboxamide
SMILESCCCn1nnc2cc(C(=O)Nc3c(Cl)cc(OC)cc3OC)ccc21
InChIInChI=1S/C18H19ClN4O3/c1-4-7-23-15-6-5-11(8-14(15)21-22-23)18(24)20-17-13(19)9-12(25-2)10-16(17)26-3/h5-6,8-10H,4,7H2,1-3H3,(H,20,24)
InChIKeyIVHNUKIJCIHEJQ-UHFFFAOYSA-N
MW374.83 g/mol
LogP3.76
Rot. Bonds6

About N-(2-chloro-4,6-dimethoxyphenyl)-1-propylbenzotriazole-5-carboxamide

N-(2-chloro-4,6-dimethoxyphenyl)-1-propylbenzotriazole-5-carboxamide (PubChem CID 53051782) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethoxyphenyl)-1-propylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethoxyphenyl)-1-propylbenzotriazole-5-carboxamide
PubChem CID53051782
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC NameN-(2-chloro-4,6-dimethoxyphenyl)-1-propylbenzotriazole-5-carboxamide
SMILESCCCn1nnc2cc(C(=O)Nc3c(Cl)cc(OC)cc3OC)ccc21
InChIInChI=1S/C18H19ClN4O3/c1-4-7-23-15-6-5-11(8-14(15)21-22-23)18(24)20-17-13(19)9-12(25-2)10-16(17)26-3/h5-6,8-10H,4,7H2,1-3H3,(H,20,24)
InChIKeyIVHNUKIJCIHEJQ-UHFFFAOYSA-N
XLogP3.76
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051706
N-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051719
N-(5-chloro-2-methoxyphenyl)-1-[2-(dimethylamino)ethyl]benzotriazole-5-carboxamide
CID 53180097
N-(2-fluorophenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051721
1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide
CID 26709742
ethyl 3-[(1-propylbenzotriazole-5-carbonyl)amino]benzoate
CID 53051718
1-ethyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzotriazole-5-carboxamide
CID 17427457
N-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 42091729
1-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzotriazole-5-carboxamide
CID 53121118
N-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111154
N-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111169
1-ethyl-N-(2,4,6-trimethylphenyl)benzotriazole-5-carboxamide
CID 26085870

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethoxyphenyl)-1-propylbenzotriazole-5-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethoxyphenyl)-1-propylbenzotriazole-5-carboxamide (CID 53051782) is N-(2-chloro-4,6-dimethoxyphenyl)-1-propylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethoxyphenyl)-1-propylbenzotriazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethoxyphenyl)-1-propylbenzotriazole-5-carboxamide is CCCn1nnc2cc(C(=O)Nc3c(Cl)cc(OC)cc3OC)ccc21.
What is the InChIKey of N-(2-chloro-4,6-dimethoxyphenyl)-1-propylbenzotriazole-5-carboxamide?
The InChIKey is IVHNUKIJCIHEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-4-7-23-15-6-5-11(8-14(15)21-22-23)18(24)20-17-13(19)9-12(25-2)10-16(17)26-3/h5-6,8-10H,4,7H2,1-3H3,(H,20,24).
What are the key properties of N-(2-chloro-4,6-dimethoxyphenyl)-1-propylbenzotriazole-5-carboxamide?
N-(2-chloro-4,6-dimethoxyphenyl)-1-propylbenzotriazole-5-carboxamide has a molecular weight of 374.83 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethoxyphenyl)-1-propylbenzotriazole-5-carboxamide is sourced from PubChem (CID 53051782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).