N-ethyl-N-phenylbenzotriazole-1-carboxamide

C15H14N4O — CID 66688521

IUPACN-ethyl-N-phenylbenzotriazole-1-carboxamide
SMILESCCN(C(=O)n1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C15H14N4O/c1-2-18(12-8-4-3-5-9-12)15(20)19-14-11-7-6-10-13(14)16-17-19/h3-11H,2H2,1H3
InChIKeyHRMOZWXGZICJAW-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.93
Rot. Bonds2

About N-ethyl-N-phenylbenzotriazole-1-carboxamide

N-ethyl-N-phenylbenzotriazole-1-carboxamide (PubChem CID 66688521) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-ethyl-N-phenylbenzotriazole-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-phenylbenzotriazole-1-carboxamide
PubChem CID66688521
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-ethyl-N-phenylbenzotriazole-1-carboxamide
SMILESCCN(C(=O)n1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C15H14N4O/c1-2-18(12-8-4-3-5-9-12)15(20)19-14-11-7-6-10-13(14)16-17-19/h3-11H,2H2,1H3
InChIKeyHRMOZWXGZICJAW-UHFFFAOYSA-N
XLogP2.93
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzotriazol-1-yl-[4-(diethylamino)phenyl]methanone
CID 690503
2-(benzotriazol-1-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 3770861
(3S)-1-(benzotriazol-1-yl)-3-phenylbutan-1-one
CID 40567507
N-[(Z)-1-(benzotriazol-1-yl)hex-1-enyl]-N-phenylaniline
CID 6518439
2-(benzotriazol-1-yl)prop-2-enoic acid
CID 174497195
N'-(benzotriazol-1-ylmethyl)-N'-phenylpropanehydrazide
CID 4312040
6-chloro-N-methyl-N-phenylbenzotriazole-1-carboxamide
CID 66682959
5-bromo-N-methyl-N-phenylbenzotriazole-1-carboxamide
CID 66688318
4-(2,6-dichlorophenyl)-N-ethyl-5-oxo-N-phenyltetrazole-1-carboxamide
CID 58502246
N-(1,3-dioxoisoindol-2-yl)-N-propan-2-ylbenzotriazole-1-carboxamide
CID 155280774
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 46347454
ethyl 3-[ethyl(phenyl)carbamoyl]-5-(2-phenoxyphenyl)triazole-4-carboxylate
CID 58501894

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenylbenzotriazole-1-carboxamide?
The IUPAC name of N-ethyl-N-phenylbenzotriazole-1-carboxamide (CID 66688521) is N-ethyl-N-phenylbenzotriazole-1-carboxamide.
What is the SMILES notation for N-ethyl-N-phenylbenzotriazole-1-carboxamide?
The canonical SMILES for N-ethyl-N-phenylbenzotriazole-1-carboxamide is CCN(C(=O)n1nnc2ccccc21)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenylbenzotriazole-1-carboxamide?
The InChIKey is HRMOZWXGZICJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-18(12-8-4-3-5-9-12)15(20)19-14-11-7-6-10-13(14)16-17-19/h3-11H,2H2,1H3.
What are the key properties of N-ethyl-N-phenylbenzotriazole-1-carboxamide?
N-ethyl-N-phenylbenzotriazole-1-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenylbenzotriazole-1-carboxamide is sourced from PubChem (CID 66688521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).