4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide

C21H17FN4O — CID 17101782

IUPAC4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
SMILESCCc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1
InChIInChI=1S/C21H17FN4O/c1-2-14-3-5-15(6-4-14)21(27)23-17-9-12-19-20(13-17)25-26(24-19)18-10-7-16(22)8-11-18/h3-13H,2H2,1H3,(H,23,27)
InChIKeyDDWWANNWCFFKTL-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.37
Rot. Bonds4

About 4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide

4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide (PubChem CID 17101782) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
PubChem CID17101782
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
SMILESCCc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1
InChIInChI=1S/C21H17FN4O/c1-2-14-3-5-15(6-4-14)21(27)23-17-9-12-19-20(13-17)25-26(24-19)18-10-7-16(22)8-11-18/h3-13H,2H2,1H3,(H,23,27)
InChIKeyDDWWANNWCFFKTL-UHFFFAOYSA-N
XLogP4.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 1363610
3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide
CID 1333527
4-[(2S)-butan-2-yl]oxy-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
CID 29093869
3-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
CID 1362333
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3,4-dimethoxybenzamide
CID 5035579
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-propoxybenzamide
CID 17219968
N-[2-(4-ethylphenyl)benzotriazol-5-yl]pentanamide
CID 17219836
N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 952245
N-[2-[4-(diethylamino)phenyl]benzotriazol-5-yl]pyridine-4-carboxamide
CID 68555772
4-bromo-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide
CID 1341445
N-[2-(4-ethylphenyl)benzotriazol-5-yl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17111010
3,5-dichloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-2-methoxybenzamide
CID 17111009

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide?
The IUPAC name of 4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide (CID 17101782) is 4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide.
What is the SMILES notation for 4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide?
The canonical SMILES for 4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide is CCc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1.
What is the InChIKey of 4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide?
The InChIKey is DDWWANNWCFFKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-2-14-3-5-15(6-4-14)21(27)23-17-9-12-19-20(13-17)25-26(24-19)18-10-7-16(22)8-11-18/h3-13H,2H2,1H3,(H,23,27).
What are the key properties of 4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide?
4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide has a molecular weight of 360.39 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide is sourced from PubChem (CID 17101782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).