N-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide

C16H15N5O2 — CID 167951994

IUPACN-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)c2ccc3n[nH]nc3c2)c1
InChIInChI=1S/C16H15N5O2/c1-2-17-15(22)10-4-3-5-12(8-10)18-16(23)11-6-7-13-14(9-11)20-21-19-13/h3-9H,2H2,1H3,(H,17,22)(H,18,23)(H,19,20,21)
InChIKeyGGVVQOIYJHIRSC-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.96
Rot. Bonds4

About N-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide

N-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide (PubChem CID 167951994) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide
PubChem CID167951994
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)c2ccc3n[nH]nc3c2)c1
InChIInChI=1S/C16H15N5O2/c1-2-17-15(22)10-4-3-5-12(8-10)18-16(23)11-6-7-13-14(9-11)20-21-19-13/h3-9H,2H2,1H3,(H,17,22)(H,18,23)(H,19,20,21)
InChIKeyGGVVQOIYJHIRSC-UHFFFAOYSA-N
XLogP1.96
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17230817
3-acetamido-N-ethylbenzamide
CID 17230670
N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide
CID 17477354
1-N-ethyl-3-N-pyridin-4-ylbenzene-1,3-dicarboxamide
CID 70972162
N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide
CID 18151214
N-[3-(ethylcarbamoyl)phenyl]-5-hydroxypyridine-3-carboxamide
CID 63859405
N-[4-(diethylamino)phenyl]-2H-benzotriazole-5-carboxamide
CID 17460824
N-(3,4-difluorophenyl)-2H-benzotriazole-5-carboxamide
CID 110468853
N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55814774
N-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide
CID 27162728
2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17230631
3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide
CID 131938377

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide (CID 167951994) is N-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide is CCNC(=O)c1cccc(NC(=O)c2ccc3n[nH]nc3c2)c1.
What is the InChIKey of N-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is GGVVQOIYJHIRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-2-17-15(22)10-4-3-5-12(8-10)18-16(23)11-6-7-13-14(9-11)20-21-19-13/h3-9H,2H2,1H3,(H,17,22)(H,18,23)(H,19,20,21).
What are the key properties of N-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide?
N-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 167951994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).