N-propan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide

C24H21F3N4O3 — CID 24739895

IUPACN-propan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(c1)nnn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C24H21F3N4O3/c1-15(2)28-23(32)17-5-12-22-21(13-17)29-30-31(22)18-6-10-19(11-7-18)33-14-16-3-8-20(9-4-16)34-24(25,26)27/h3-13,15H,14H2,1-2H3,(H,28,32)
InChIKeyGOUUDJVZUQZAAP-UHFFFAOYSA-N
MW470.45 g/mol
LogP5.04
Rot. Bonds7

About N-propan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide

N-propan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide (PubChem CID 24739895) has the molecular formula C24H21F3N4O3 and a molecular weight of 470.45 g/mol. Its IUPAC name is N-propan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide
PubChem CID24739895
Molecular FormulaC24H21F3N4O3
Molecular Weight470.45 g/mol
Exact Mass470.16
IUPAC NameN-propan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(c1)nnn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C24H21F3N4O3/c1-15(2)28-23(32)17-5-12-22-21(13-17)29-30-31(22)18-6-10-19(11-7-18)33-14-16-3-8-20(9-4-16)34-24(25,26)27/h3-13,15H,14H2,1-2H3,(H,28,32)
InChIKeyGOUUDJVZUQZAAP-UHFFFAOYSA-N
XLogP5.04
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.45
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide
CID 4802476
1-Cyclopentyl-N-[(2-methoxyphenyl)methyl]-1H-1,2,3-benzotriazole-5-carboxamide
CID 16024634
N-(4-methoxyphenyl)-N,1-dimethylbenzotriazole-5-carboxamide
CID 1088599
(4-Fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)benzotriazol-5-yl]methanone
CID 163260913
1-cyclopentyl-N-(4-ethoxyphenyl)-1H-1,2,3-benzotriazole-5-carboxamide
CID 16024626
1-cyclopentyl-N-(2-methoxy-5-methylphenyl)-1H-1,2,3-benzotriazole-5-carboxamide
CID 16024658
(2-Ethoxy-phenyl)-[4-(5-trifluoromethyl-benzotriazol-1-yl)-piperidin-1-yl]-methanone
CID 1469601
1-ethyl-N-(4-methoxyphenyl)-1H-1,2,3-benzotriazole-5-carboxamide
CID 16024890
N-[2-(4-ethoxyphenoxy)ethyl]-1-ethylbenzotriazole-5-carboxamide
CID 9115963
[1-(4-Methoxyphenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone
CID 164780318
1-cyclopentyl-N-(3-methoxybenzyl)-1H-1,2,3-benzotriazole-5-carboxamide
CID 16024636
1-Cyclopentyl-N-[(4-ethoxyphenyl)methyl]-1H-1,2,3-benzotriazole-5-carboxamide
CID 16024660

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide?
The IUPAC name of N-propan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide (CID 24739895) is N-propan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide?
The canonical SMILES for N-propan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide is CC(C)NC(=O)c1ccc2c(c1)nnn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N-propan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide?
The InChIKey is GOUUDJVZUQZAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c1-15(2)28-23(32)17-5-12-22-21(13-17)29-30-31(22)18-6-10-19(11-7-18)33-14-16-3-8-20(9-4-16)34-24(25,26)27/h3-13,15H,14H2,1-2H3,(H,28,32).
What are the key properties of N-propan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide?
N-propan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide has a molecular weight of 470.45 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 24739895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).