4-propoxy-N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]benzamide

C23H19F3N4O2 — CID 15998907

IUPAC4-propoxy-N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]benzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc3nn(-c4cccc(C(F)(F)F)c4)nc3c2)cc1
InChIInChI=1S/C23H19F3N4O2/c1-2-12-32-19-9-6-15(7-10-19)22(31)27-17-8-11-20-21(14-17)29-30(28-20)18-5-3-4-16(13-18)23(24,25)26/h3-11,13-14H,2,12H2,1H3,(H,27,31)
InChIKeyUSLDHCJTFCEXSW-UHFFFAOYSA-N
MW440.43 g/mol
LogP5.48
Rot. Bonds6

About 4-propoxy-N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]benzamide

4-propoxy-N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]benzamide (PubChem CID 15998907) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is 4-propoxy-N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]benzamide.

Molecular Properties

Compound Name4-propoxy-N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]benzamide
PubChem CID15998907
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC Name4-propoxy-N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]benzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc3nn(-c4cccc(C(F)(F)F)c4)nc3c2)cc1
InChIInChI=1S/C23H19F3N4O2/c1-2-12-32-19-9-6-15(7-10-19)22(31)27-17-8-11-20-21(14-17)29-30(28-20)18-5-3-4-16(13-18)23(24,25)26/h3-11,13-14H,2,12H2,1H3,(H,27,31)
InChIKeyUSLDHCJTFCEXSW-UHFFFAOYSA-N
XLogP5.48
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.43
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide
CID 2276912
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-propoxybenzamide
CID 17219968
3-[(4-hexoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167860
4-tert-butyl-N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide
CID 3117315
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]naphthalene-2-carboxamide
CID 15993722
N-[(E)-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methylideneamino]-4-propoxybenzamide
CID 133169906
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55564171
4-[(4-hexoxybenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 43887334
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 1363610
3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639289
3-[(4-hexoxybenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 43878275
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]benzamide?
The IUPAC name of 4-propoxy-N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]benzamide (CID 15998907) is 4-propoxy-N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]benzamide.
What is the SMILES notation for 4-propoxy-N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]benzamide?
The canonical SMILES for 4-propoxy-N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]benzamide is CCCOc1ccc(C(=O)Nc2ccc3nn(-c4cccc(C(F)(F)F)c4)nc3c2)cc1.
What is the InChIKey of 4-propoxy-N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]benzamide?
The InChIKey is USLDHCJTFCEXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c1-2-12-32-19-9-6-15(7-10-19)22(31)27-17-8-11-20-21(14-17)29-30(28-20)18-5-3-4-16(13-18)23(24,25)26/h3-11,13-14H,2,12H2,1H3,(H,27,31).
What are the key properties of 4-propoxy-N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]benzamide?
4-propoxy-N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]benzamide has a molecular weight of 440.43 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-N-[2-[3-(trifluoromethyl)phenyl]benzotriazol-5-yl]benzamide is sourced from PubChem (CID 15998907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).