2-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)benzamide

C23H20F3NO4 — CID 29176493

IUPAC2-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc(OC)c1OC
InChIInChI=1S/C23H20F3NO4/c1-29-19-12-16(13-20(30-2)21(19)31-3)27-22(28)18-7-5-4-6-17(18)14-8-10-15(11-9-14)23(24,25)26/h4-13H,1-3H3,(H,27,28)
InChIKeyKEKLHBUOLYVUNU-UHFFFAOYSA-N
MW431.41 g/mol
LogP5.65
Rot. Bonds6

About 2-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)benzamide

2-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 29176493) has the molecular formula C23H20F3NO4 and a molecular weight of 431.41 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID29176493
Molecular FormulaC23H20F3NO4
Molecular Weight431.41 g/mol
Exact Mass431.13
IUPAC Name2-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc(OC)c1OC
InChIInChI=1S/C23H20F3NO4/c1-29-19-12-16(13-20(30-2)21(19)31-3)27-22(28)18-7-5-4-6-17(18)14-8-10-15(11-9-14)23(24,25)26/h4-13H,1-3H3,(H,27,28)
InChIKeyKEKLHBUOLYVUNU-UHFFFAOYSA-N
XLogP5.65
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.41
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659
2-[2-methoxy-3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetic acid
CID 90737113
4-methoxy-N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide
CID 60537647
N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide
CID 11430575
N-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70144762
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 4527529
N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70143092
N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 2121231
N-[4-(2-aminoethylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 149266248
N-[[3-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]carbamothioyl]-2-methylbenzamide
CID 134109537
1-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)thiourea
CID 17312818
2-[4-(trifluoromethyl)phenyl]-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 3249921

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)benzamide (CID 29176493) is 2-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)benzamide is COc1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc(OC)c1OC.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is KEKLHBUOLYVUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO4/c1-29-19-12-16(13-20(30-2)21(19)31-3)27-22(28)18-7-5-4-6-17(18)14-8-10-15(11-9-14)23(24,25)26/h4-13H,1-3H3,(H,27,28).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)benzamide?
2-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 431.41 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 29176493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).