N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide

C16H15N5O2 — CID 51208716

IUPACN-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3ccccc3C(N)=O)ccc21
InChIInChI=1S/C16H15N5O2/c1-2-21-14-8-7-10(9-13(14)19-20-21)16(23)18-12-6-4-3-5-11(12)15(17)22/h3-9H,2H2,1H3,(H2,17,22)(H,18,23)
InChIKeyQUVUPISDYNJPSW-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.80
Rot. Bonds4

About N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide

N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide (PubChem CID 51208716) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
PubChem CID51208716
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3ccccc3C(N)=O)ccc21
InChIInChI=1S/C16H15N5O2/c1-2-21-14-8-7-10(9-13(14)19-20-21)16(23)18-12-6-4-3-5-11(12)15(17)22/h3-9H,2H2,1H3,(H2,17,22)(H,18,23)
InChIKeyQUVUPISDYNJPSW-UHFFFAOYSA-N
XLogP1.80
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 39996052
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 39996053
1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide
CID 8839386
1-ethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzotriazole-5-carboxamide
CID 18155904
1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide
CID 26727322
N-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 22110318
1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide
CID 27298510
1-ethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide
CID 41369673
1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide
CID 8013290
N-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051719
N-(2-fluorophenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051721
1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide
CID 26709742

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide (CID 51208716) is N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)Nc3ccccc3C(N)=O)ccc21.
What is the InChIKey of N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide?
The InChIKey is QUVUPISDYNJPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-2-21-14-8-7-10(9-13(14)19-20-21)16(23)18-12-6-4-3-5-11(12)15(17)22/h3-9H,2H2,1H3,(H2,17,22)(H,18,23).
What are the key properties of N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide?
N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide is sourced from PubChem (CID 51208716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).