4-fluoro-N-[2-[[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide;4-fluoro-N-[2-[[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide

C47H37F9N4O4 — CID 158545251

IUPAC4-fluoro-N-[2-[[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide;4-fluoro-N-[2-[[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide
SMILESCc1ccc(C(NC(=O)CNC(=O)c2ccc(F)cc2)c2cccc(C(F)(F)F)c2)cc1.O=C(CNC(=O)c1ccc(F)cc1)NC(c1cccc(F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H20F4N2O2.C23H17F5N2O2/c1-15-5-7-16(8-6-15)22(18-3-2-4-19(13-18)24(26,27)28)30-21(31)14-29-23(32)17-9-11-20(25)12-10-17;24-18-9-7-14(8-10-18)22(32)29-13-20(31)30-21(16-4-2-6-19(25)12-16)15-3-1-5-17(11-15)23(26,27)28/h2-13,22H,14H2,1H3,(H,29,32)(H,30,31);1-12,21H,13H2,(H,29,32)(H,30,31)
InChIKeyHPALEBXXFKALSB-UHFFFAOYSA-N
MW892.82 g/mol
LogP9.41
Rot. Bonds12

About 4-fluoro-N-[2-[[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide;4-fluoro-N-[2-[[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide

4-fluoro-N-[2-[[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide;4-fluoro-N-[2-[[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide (PubChem CID 158545251) has the molecular formula C47H37F9N4O4 and a molecular weight of 892.82 g/mol. Its IUPAC name is 4-fluoro-N-[2-[[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide;4-fluoro-N-[2-[[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide;4-fluoro-N-[2-[[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide
PubChem CID158545251
Molecular FormulaC47H37F9N4O4
Molecular Weight892.82 g/mol
Exact Mass892.27
IUPAC Name4-fluoro-N-[2-[[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide;4-fluoro-N-[2-[[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide
SMILESCc1ccc(C(NC(=O)CNC(=O)c2ccc(F)cc2)c2cccc(C(F)(F)F)c2)cc1.O=C(CNC(=O)c1ccc(F)cc1)NC(c1cccc(F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H20F4N2O2.C23H17F5N2O2/c1-15-5-7-16(8-6-15)22(18-3-2-4-19(13-18)24(26,27)28)30-21(31)14-29-23(32)17-9-11-20(25)12-10-17;24-18-9-7-14(8-10-18)22(32)29-13-20(31)30-21(16-4-2-6-19(25)12-16)15-3-1-5-17(11-15)23(26,27)28/h2-13,22H,14H2,1H3,(H,29,32)(H,30,31);1-12,21H,13H2,(H,29,32)(H,30,31)
InChIKeyHPALEBXXFKALSB-UHFFFAOYSA-N
XLogP9.41
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.82
LogP ≤ 59.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[2-[[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide;4-fluoro-N-[2-[[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide with MolForge

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Related Compounds

4-cyano-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide
CID 24900234
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 113000065
[(S)-(3-fluorophenyl)-(4-methylphenyl)methyl]urea
CID 1356900
N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 154867848
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 42765964
N-[2-[[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-4-methylbenzamide
CID 25358357
4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide
CID 155944735
N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]propanamide
CID 68870970
4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 770701
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 47009485
N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-4-fluoro-3-methylbenzamide
CID 59689109

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide;4-fluoro-N-[2-[[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide;4-fluoro-N-[2-[[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide (CID 158545251) is 4-fluoro-N-[2-[[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide;4-fluoro-N-[2-[[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide;4-fluoro-N-[2-[[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide;4-fluoro-N-[2-[[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide is Cc1ccc(C(NC(=O)CNC(=O)c2ccc(F)cc2)c2cccc(C(F)(F)F)c2)cc1.O=C(CNC(=O)c1ccc(F)cc1)NC(c1cccc(F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-[2-[[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide;4-fluoro-N-[2-[[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide?
The InChIKey is HPALEBXXFKALSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N2O2.C23H17F5N2O2/c1-15-5-7-16(8-6-15)22(18-3-2-4-19(13-18)24(26,27)28)30-21(31)14-29-23(32)17-9-11-20(25)12-10-17;24-18-9-7-14(8-10-18)22(32)29-13-20(31)30-21(16-4-2-6-19(25)12-16)15-3-1-5-17(11-15)23(26,27)28/h2-13,22H,14H2,1H3,(H,29,32)(H,30,31);1-12,21H,13H2,(H,29,32)(H,30,31).
What are the key properties of 4-fluoro-N-[2-[[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide;4-fluoro-N-[2-[[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide?
4-fluoro-N-[2-[[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide;4-fluoro-N-[2-[[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 892.82 g/mol, XLogP of 9.41, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide;4-fluoro-N-[2-[[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 158545251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).