N-(4-methoxyphenyl)-4-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide

C25H21F3N2O3 — CID 134055578

IUPACN-(4-methoxyphenyl)-4-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)C3CC3c3ccccc3C(F)(F)F)cc2)cc1
InChIInChI=1S/C25H21F3N2O3/c1-33-18-12-10-17(11-13-18)29-23(31)15-6-8-16(9-7-15)30-24(32)21-14-20(21)19-4-2-3-5-22(19)25(26,27)28/h2-13,20-21H,14H2,1H3,(H,29,31)(H,30,32)
InChIKeyXYIKIQIIIGYUIL-UHFFFAOYSA-N
MW454.45 g/mol
LogP5.71
Rot. Bonds6

About N-(4-methoxyphenyl)-4-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide

N-(4-methoxyphenyl)-4-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide (PubChem CID 134055578) has the molecular formula C25H21F3N2O3 and a molecular weight of 454.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
PubChem CID134055578
Molecular FormulaC25H21F3N2O3
Molecular Weight454.45 g/mol
Exact Mass454.15
IUPAC NameN-(4-methoxyphenyl)-4-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)C3CC3c3ccccc3C(F)(F)F)cc2)cc1
InChIInChI=1S/C25H21F3N2O3/c1-33-18-12-10-17(11-13-18)29-23(31)15-6-8-16(9-7-15)30-24(32)21-14-20(21)19-4-2-3-5-22(19)25(26,27)28/h2-13,20-21H,14H2,1H3,(H,29,31)(H,30,32)
InChIKeyXYIKIQIIIGYUIL-UHFFFAOYSA-N
XLogP5.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.45
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 52545008
4-bromo-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide
CID 78832337
N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 16770362
N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112820316
N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51261801
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 71897401
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
4-(cyclopentanecarbonylamino)-N-(4-methoxyphenyl)benzamide
CID 2677112
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112806379
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N'-[2-(4-methylphenoxy)acetyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 78832706
N-(4-methoxyphenyl)-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 110681350

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide (CID 134055578) is N-(4-methoxyphenyl)-4-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)C3CC3c3ccccc3C(F)(F)F)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide?
The InChIKey is XYIKIQIIIGYUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N2O3/c1-33-18-12-10-17(11-13-18)29-23(31)15-6-8-16(9-7-15)30-24(32)21-14-20(21)19-4-2-3-5-22(19)25(26,27)28/h2-13,20-21H,14H2,1H3,(H,29,31)(H,30,32).
What are the key properties of N-(4-methoxyphenyl)-4-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide?
N-(4-methoxyphenyl)-4-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide has a molecular weight of 454.45 g/mol, XLogP of 5.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 134055578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).