N-[4-(2,2,2-trifluoroethoxy)phenyl]-2H-benzotriazole-5-carboxamide

C15H11F3N4O2 — CID 17468094

IUPACN-[4-(2,2,2-trifluoroethoxy)phenyl]-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C15H11F3N4O2/c16-15(17,18)8-24-11-4-2-10(3-5-11)19-14(23)9-1-6-12-13(7-9)21-22-20-12/h1-7H,8H2,(H,19,23)(H,20,21,22)
InChIKeyKVRKFDBMEUDKBC-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.15
Rot. Bonds4

About N-[4-(2,2,2-trifluoroethoxy)phenyl]-2H-benzotriazole-5-carboxamide

N-[4-(2,2,2-trifluoroethoxy)phenyl]-2H-benzotriazole-5-carboxamide (PubChem CID 17468094) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is N-[4-(2,2,2-trifluoroethoxy)phenyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2,2,2-trifluoroethoxy)phenyl]-2H-benzotriazole-5-carboxamide
PubChem CID17468094
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC NameN-[4-(2,2,2-trifluoroethoxy)phenyl]-2H-benzotriazole-5-carboxamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C15H11F3N4O2/c16-15(17,18)8-24-11-4-2-10(3-5-11)19-14(23)9-1-6-12-13(7-9)21-22-20-12/h1-7H,8H2,(H,19,23)(H,20,21,22)
InChIKeyKVRKFDBMEUDKBC-UHFFFAOYSA-N
XLogP3.15
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(trifluoromethyl)phenyl]-2H-benzotriazole-5-carboxamide
CID 29406369
N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-benzothiazole-6-carboxamide
CID 17481716
4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010354
N-(3,4-difluorophenyl)-2H-benzotriazole-5-carboxamide
CID 110468853
N-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55606042
6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 134010368
N-(4-propan-2-ylphenyl)-2H-benzotriazole-5-carboxamide
CID 27162728
3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 18158615
4-(difluoromethoxy)-3-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55474776
N-[4-(diethylamino)phenyl]-2H-benzotriazole-5-carboxamide
CID 17460824
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 67311851
2,3,4,5-tetrafluoro-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 18208238

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2,2-trifluoroethoxy)phenyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[4-(2,2,2-trifluoroethoxy)phenyl]-2H-benzotriazole-5-carboxamide (CID 17468094) is N-[4-(2,2,2-trifluoroethoxy)phenyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[4-(2,2,2-trifluoroethoxy)phenyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[4-(2,2,2-trifluoroethoxy)phenyl]-2H-benzotriazole-5-carboxamide is O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[4-(2,2,2-trifluoroethoxy)phenyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is KVRKFDBMEUDKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c16-15(17,18)8-24-11-4-2-10(3-5-11)19-14(23)9-1-6-12-13(7-9)21-22-20-12/h1-7H,8H2,(H,19,23)(H,20,21,22).
What are the key properties of N-[4-(2,2,2-trifluoroethoxy)phenyl]-2H-benzotriazole-5-carboxamide?
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 336.27 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2,2-trifluoroethoxy)phenyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 17468094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).