N-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide

C16H15N5O2 — CID 22110318

IUPACN-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3cccc(C(N)=O)c3)ccc21
InChIInChI=1S/C16H15N5O2/c1-2-21-14-7-6-11(9-13(14)19-20-21)16(23)18-12-5-3-4-10(8-12)15(17)22/h3-9H,2H2,1H3,(H2,17,22)(H,18,23)
InChIKeyQEPKPEQEMVDAHC-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.80
Rot. Bonds4

About N-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide

N-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide (PubChem CID 22110318) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
PubChem CID22110318
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3cccc(C(N)=O)c3)ccc21
InChIInChI=1S/C16H15N5O2/c1-2-21-14-7-6-11(9-13(14)19-20-21)16(23)18-12-5-3-4-10(8-12)15(17)22/h3-9H,2H2,1H3,(H2,17,22)(H,18,23)
InChIKeyQEPKPEQEMVDAHC-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

1-ethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzotriazole-5-carboxamide
CID 31886468
ethyl 3-[(1-propylbenzotriazole-5-carbonyl)amino]benzoate
CID 53051718
1-ethyl-N-[3-(tetrazol-1-yl)phenyl]benzotriazole-5-carboxamide
CID 8852352
N-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide
CID 47014537
N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 51208716
N-(3-cyclopentyloxyphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 30806337
N-(3-chlorophenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051706
ethyl 3-[[1-[(4-fluorophenyl)methyl]benzotriazole-5-carbonyl]amino]benzoate
CID 53111407
1-ethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazole-5-carboxamide
CID 135877247
1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide
CID 8839386
1-ethyl-N-(2,4,6-trimethylphenyl)benzotriazole-5-carboxamide
CID 26085870
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 1-ethylbenzotriazole-5-carboxylate
CID 7805749

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide?
The IUPAC name of N-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide (CID 22110318) is N-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide?
The canonical SMILES for N-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)Nc3cccc(C(N)=O)c3)ccc21.
What is the InChIKey of N-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide?
The InChIKey is QEPKPEQEMVDAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-2-21-14-7-6-11(9-13(14)19-20-21)16(23)18-12-5-3-4-10(8-12)15(17)22/h3-9H,2H2,1H3,(H2,17,22)(H,18,23).
What are the key properties of N-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide?
N-(3-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-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide is sourced from PubChem (CID 22110318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).