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

C17H15F2N5O2 — CID 46296368

IUPACN-[2-(2,5-difluoroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide
SMILESCN(CC(=O)Nc1cc(F)ccc1F)C(=O)c1ccc2c(c1)nnn2C
InChIInChI=1S/C17H15F2N5O2/c1-23(9-16(25)20-13-8-11(18)4-5-12(13)19)17(26)10-3-6-15-14(7-10)21-22-24(15)2/h3-8H,9H2,1-2H3,(H,20,25)
InChIKeyIJGQIIOYQCVFOL-UHFFFAOYSA-N
MW359.34 g/mol
LogP1.96
Rot. Bonds4

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

N-[2-(2,5-difluoroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide (PubChem CID 46296368) has the molecular formula C17H15F2N5O2 and a molecular weight of 359.34 g/mol. Its IUPAC name is N-[2-(2,5-difluoroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-difluoroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide
PubChem CID46296368
Molecular FormulaC17H15F2N5O2
Molecular Weight359.34 g/mol
Exact Mass359.12
IUPAC NameN-[2-(2,5-difluoroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide
SMILESCN(CC(=O)Nc1cc(F)ccc1F)C(=O)c1ccc2c(c1)nnn2C
InChIInChI=1S/C17H15F2N5O2/c1-23(9-16(25)20-13-8-11(18)4-5-12(13)19)17(26)10-3-6-15-14(7-10)21-22-24(15)2/h3-8H,9H2,1-2H3,(H,20,25)
InChIKeyIJGQIIOYQCVFOL-UHFFFAOYSA-N
XLogP1.96
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-difluorophenyl)-1-methylbenzotriazole-5-carboxamide
CID 53051524
N-[2-(4-chloroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide
CID 46296374
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide
CID 46296398
N-(2,5-difluorophenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500527
2-[ethyl-(1-methylbenzotriazole-5-carbonyl)amino]acetic acid
CID 119205740
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methyl-1-propan-2-ylbenzotriazole-5-carboxamide
CID 46296466
1-ethyl-N-methyl-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzotriazole-5-carboxamide
CID 46296446
2-methyl-1-(1-methylbenzotriazol-5-yl)propan-1-one
CID 112713248
N-(3-aminopropyl)-1-methylbenzotriazole-5-carboxamide
CID 119404950
N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]-1-methylbenzotriazole-5-carboxamide
CID 75437762
2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 16577767
1-cyclopentyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzotriazole-5-carboxamide
CID 46296501

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluoroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide?
The IUPAC name of N-[2-(2,5-difluoroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide (CID 46296368) is N-[2-(2,5-difluoroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-[2-(2,5-difluoroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide?
The canonical SMILES for N-[2-(2,5-difluoroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide is CN(CC(=O)Nc1cc(F)ccc1F)C(=O)c1ccc2c(c1)nnn2C.
What is the InChIKey of N-[2-(2,5-difluoroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide?
The InChIKey is IJGQIIOYQCVFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O2/c1-23(9-16(25)20-13-8-11(18)4-5-12(13)19)17(26)10-3-6-15-14(7-10)21-22-24(15)2/h3-8H,9H2,1-2H3,(H,20,25).
What are the key properties of N-[2-(2,5-difluoroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide?
N-[2-(2,5-difluoroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide has a molecular weight of 359.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluoroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide is sourced from PubChem (CID 46296368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).