3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide

C24H18F6N2O2 — CID 4076220

IUPAC3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(CNC(=O)c2cccc(C(F)(F)F)c2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H18F6N2O2/c25-23(26,27)19-8-2-6-17(11-19)21(33)31-13-15-4-1-5-16(10-15)14-32-22(34)18-7-3-9-20(12-18)24(28,29)30/h1-12H,13-14H2,(H,31,33)(H,32,34)
InChIKeyCVJQIFSBJAIDOE-UHFFFAOYSA-N
MW480.41 g/mol
LogP5.58
Rot. Bonds6

About 3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide

3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide (PubChem CID 4076220) has the molecular formula C24H18F6N2O2 and a molecular weight of 480.41 g/mol. Its IUPAC name is 3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
PubChem CID4076220
Molecular FormulaC24H18F6N2O2
Molecular Weight480.41 g/mol
Exact Mass480.13
IUPAC Name3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(CNC(=O)c2cccc(C(F)(F)F)c2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H18F6N2O2/c25-23(26,27)19-8-2-6-17(11-19)21(33)31-13-15-4-1-5-16(10-15)14-32-22(34)18-7-3-9-20(12-18)24(28,29)30/h1-12H,13-14H2,(H,31,33)(H,32,34)
InChIKeyCVJQIFSBJAIDOE-UHFFFAOYSA-N
XLogP5.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.41
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide
CID 55749265
4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 107020234
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 4149542
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
3-(propan-2-ylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 26887138
N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 27515082
N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 17436374
N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 26887208
N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192094
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 18291756
4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 27515025

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide?
The IUPAC name of 3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide (CID 4076220) is 3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide?
The canonical SMILES for 3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide is O=C(NCc1cccc(CNC(=O)c2cccc(C(F)(F)F)c2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide?
The InChIKey is CVJQIFSBJAIDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F6N2O2/c25-23(26,27)19-8-2-6-17(11-19)21(33)31-13-15-4-1-5-16(10-15)14-32-22(34)18-7-3-9-20(12-18)24(28,29)30/h1-12H,13-14H2,(H,31,33)(H,32,34).
What are the key properties of 3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide?
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide has a molecular weight of 480.41 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 4076220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).