N-[2-(4-chloroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide

C17H16ClN5O2 — CID 46296374

IUPACN-[2-(4-chloroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)nnn2C
InChIInChI=1S/C17H16ClN5O2/c1-22(10-16(24)19-13-6-4-12(18)5-7-13)17(25)11-3-8-15-14(9-11)20-21-23(15)2/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyCJVMWJAPUCMNJL-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.33
Rot. Bonds4

About N-[2-(4-chloroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide

N-[2-(4-chloroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide (PubChem CID 46296374) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide
PubChem CID46296374
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC NameN-[2-(4-chloroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)nnn2C
InChIInChI=1S/C17H16ClN5O2/c1-22(10-16(24)19-13-6-4-12(18)5-7-13)17(25)11-3-8-15-14(9-11)20-21-23(15)2/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyCJVMWJAPUCMNJL-UHFFFAOYSA-N
XLogP2.33
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,5-difluoroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide
CID 46296368
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide
CID 46296398
1-ethyl-N-methyl-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzotriazole-5-carboxamide
CID 46296446
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-methylbenzotriazole-5-carboxamide
CID 155945933
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methyl-1-propan-2-ylbenzotriazole-5-carboxamide
CID 46296466
1-cyclopentyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzotriazole-5-carboxamide
CID 46296501
N-(4-acetamidophenyl)-1-methylbenzotriazole-5-carboxamide
CID 53051571
4-(carbamoylamino)-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 30091289
2-[[(4-chlorophenyl)carbamoyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 53104233
N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide
CID 2454779
4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719433
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide
CID 9438354

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide?
The IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide (CID 46296374) is N-[2-(4-chloroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-chloroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide?
The canonical SMILES for N-[2-(4-chloroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide is CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)nnn2C.
What is the InChIKey of N-[2-(4-chloroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide?
The InChIKey is CJVMWJAPUCMNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-22(10-16(24)19-13-6-4-12(18)5-7-13)17(25)11-3-8-15-14(9-11)20-21-23(15)2/h3-9H,10H2,1-2H3,(H,19,24).
What are the key properties of N-[2-(4-chloroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide?
N-[2-(4-chloroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide has a molecular weight of 357.80 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide is sourced from PubChem (CID 46296374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).