N-(5-chloro-2-methoxyphenyl)-1-[2-(dimethylamino)ethyl]benzotriazole-5-carboxamide

C18H20ClN5O2 — CID 53180097

IUPACN-(5-chloro-2-methoxyphenyl)-1-[2-(dimethylamino)ethyl]benzotriazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)nnn2CCN(C)C
InChIInChI=1S/C18H20ClN5O2/c1-23(2)8-9-24-16-6-4-12(10-14(16)21-22-24)18(25)20-15-11-13(19)5-7-17(15)26-3/h4-7,10-11H,8-9H2,1-3H3,(H,20,25)
InChIKeyLVDJOSCUIMPOFK-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.91
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-1-[2-(dimethylamino)ethyl]benzotriazole-5-carboxamide

N-(5-chloro-2-methoxyphenyl)-1-[2-(dimethylamino)ethyl]benzotriazole-5-carboxamide (PubChem CID 53180097) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-[2-(dimethylamino)ethyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-[2-(dimethylamino)ethyl]benzotriazole-5-carboxamide
PubChem CID53180097
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-[2-(dimethylamino)ethyl]benzotriazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)nnn2CCN(C)C
InChIInChI=1S/C18H20ClN5O2/c1-23(2)8-9-24-16-6-4-12(10-14(16)21-22-24)18(25)20-15-11-13(19)5-7-17(15)26-3/h4-7,10-11H,8-9H2,1-3H3,(H,20,25)
InChIKeyLVDJOSCUIMPOFK-UHFFFAOYSA-N
XLogP2.91
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide
CID 26709742
N-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 42091729
N-(4-cyanophenyl)-1-[2-(dimethylamino)ethyl]benzotriazole-5-carboxamide
CID 53180102
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-ethylbenzotriazole-5-carboxylate
CID 7805925
N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide
CID 32760587
N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111242
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide
CID 110762736
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide
CID 38886565
N-(2-fluorophenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051721
2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide
CID 103751745
6-N-(5-chloro-2-methoxyphenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096371

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-[2-(dimethylamino)ethyl]benzotriazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-[2-(dimethylamino)ethyl]benzotriazole-5-carboxamide (CID 53180097) is N-(5-chloro-2-methoxyphenyl)-1-[2-(dimethylamino)ethyl]benzotriazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-[2-(dimethylamino)ethyl]benzotriazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-[2-(dimethylamino)ethyl]benzotriazole-5-carboxamide is COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)nnn2CCN(C)C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-[2-(dimethylamino)ethyl]benzotriazole-5-carboxamide?
The InChIKey is LVDJOSCUIMPOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-23(2)8-9-24-16-6-4-12(10-14(16)21-22-24)18(25)20-15-11-13(19)5-7-17(15)26-3/h4-7,10-11H,8-9H2,1-3H3,(H,20,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-[2-(dimethylamino)ethyl]benzotriazole-5-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-[2-(dimethylamino)ethyl]benzotriazole-5-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-[2-(dimethylamino)ethyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 53180097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).