N-(2-methoxyphenyl)-4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzamide

C24H19F3N2O3 — CID 2349234

IUPACN-(2-methoxyphenyl)-4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H19F3N2O3/c1-32-21-8-3-2-7-20(21)29-23(31)17-10-12-19(13-11-17)28-22(30)14-9-16-5-4-6-18(15-16)24(25,26)27/h2-15H,1H3,(H,28,30)(H,29,31)/b14-9+
InChIKeyMQBLOAUYXXYOFL-NTEUORMPSA-N
MW440.42 g/mol
LogP5.62
Rot. Bonds6

About N-(2-methoxyphenyl)-4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzamide

N-(2-methoxyphenyl)-4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzamide (PubChem CID 2349234) has the molecular formula C24H19F3N2O3 and a molecular weight of 440.42 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzamide
PubChem CID2349234
Molecular FormulaC24H19F3N2O3
Molecular Weight440.42 g/mol
Exact Mass440.13
IUPAC NameN-(2-methoxyphenyl)-4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H19F3N2O3/c1-32-21-8-3-2-7-20(21)29-23(31)17-10-12-19(13-11-17)28-22(30)14-9-16-5-4-6-18(15-16)24(25,26)27/h2-15H,1H3,(H,28,30)(H,29,31)/b14-9+
InChIKeyMQBLOAUYXXYOFL-NTEUORMPSA-N
XLogP5.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.42
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzoic acid
CID 13228845
ethyl 4-[3-[3-(trifluoromethyl)phenyl]prop-2-enoylamino]benzoate
CID 3386200
(E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2684281
N-(2-methoxyphenyl)-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 9244896
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 7967736
(E)-3-(2,6-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 126241968
(E)-N-(4-propan-2-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 7957085
N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875130
(E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875131
N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403508
N-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 8873512
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzamide (CID 2349234) is N-(2-methoxyphenyl)-4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzamide?
The InChIKey is MQBLOAUYXXYOFL-NTEUORMPSA-N. The full InChI is InChI=1S/C24H19F3N2O3/c1-32-21-8-3-2-7-20(21)29-23(31)17-10-12-19(13-11-17)28-22(30)14-9-16-5-4-6-18(15-16)24(25,26)27/h2-15H,1H3,(H,28,30)(H,29,31)/b14-9+.
What are the key properties of N-(2-methoxyphenyl)-4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzamide?
N-(2-methoxyphenyl)-4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzamide has a molecular weight of 440.42 g/mol, XLogP of 5.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 2349234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).