N-[4-methyl-3-[3-[(4-methylphenyl)carbamoyl]cyclohexyl]phenyl]-3-(trifluoromethyl)benzamide

C29H29F3N2O2 — CID 148779366

IUPACN-[4-methyl-3-[3-[(4-methylphenyl)carbamoyl]cyclohexyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)C2CCCC(c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)C2)cc1
InChIInChI=1S/C29H29F3N2O2/c1-18-9-12-24(13-10-18)33-27(35)21-6-3-5-20(15-21)26-17-25(14-11-19(26)2)34-28(36)22-7-4-8-23(16-22)29(30,31)32/h4,7-14,16-17,20-21H,3,5-6,15H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyOJZPZQQBRODKHN-UHFFFAOYSA-N
MW494.56 g/mol
LogP7.49
Rot. Bonds5

About N-[4-methyl-3-[3-[(4-methylphenyl)carbamoyl]cyclohexyl]phenyl]-3-(trifluoromethyl)benzamide

N-[4-methyl-3-[3-[(4-methylphenyl)carbamoyl]cyclohexyl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 148779366) has the molecular formula C29H29F3N2O2 and a molecular weight of 494.56 g/mol. Its IUPAC name is N-[4-methyl-3-[3-[(4-methylphenyl)carbamoyl]cyclohexyl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[3-[(4-methylphenyl)carbamoyl]cyclohexyl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID148779366
Molecular FormulaC29H29F3N2O2
Molecular Weight494.56 g/mol
Exact Mass494.22
IUPAC NameN-[4-methyl-3-[3-[(4-methylphenyl)carbamoyl]cyclohexyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)C2CCCC(c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)C2)cc1
InChIInChI=1S/C29H29F3N2O2/c1-18-9-12-24(13-10-18)33-27(35)21-6-3-5-20(15-21)26-17-25(14-11-19(26)2)34-28(36)22-7-4-8-23(16-22)29(30,31)32/h4,7-14,16-17,20-21H,3,5-6,15H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyOJZPZQQBRODKHN-UHFFFAOYSA-N
XLogP7.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.56
LogP ≤ 57.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 25275995
3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3978789
N-[3-(cyclohexanecarbonylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 134118758
N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 55773022
N-(4-methylphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42693352
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
N-[3-methyl-4-[1-(oxan-4-yl)ethyl]phenyl]-3-(trifluoromethyl)benzamide
CID 91565883
N-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 18281480
5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055973
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-(4-ethynylphenyl)-3-(trifluoromethyl)benzamide
CID 3751377
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[3-[(4-methylphenyl)carbamoyl]cyclohexyl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-[3-[(4-methylphenyl)carbamoyl]cyclohexyl]phenyl]-3-(trifluoromethyl)benzamide (CID 148779366) is N-[4-methyl-3-[3-[(4-methylphenyl)carbamoyl]cyclohexyl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-[3-[(4-methylphenyl)carbamoyl]cyclohexyl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-[3-[(4-methylphenyl)carbamoyl]cyclohexyl]phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)C2CCCC(c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)C2)cc1.
What is the InChIKey of N-[4-methyl-3-[3-[(4-methylphenyl)carbamoyl]cyclohexyl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is OJZPZQQBRODKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N2O2/c1-18-9-12-24(13-10-18)33-27(35)21-6-3-5-20(15-21)26-17-25(14-11-19(26)2)34-28(36)22-7-4-8-23(16-22)29(30,31)32/h4,7-14,16-17,20-21H,3,5-6,15H2,1-2H3,(H,33,35)(H,34,36).
What are the key properties of N-[4-methyl-3-[3-[(4-methylphenyl)carbamoyl]cyclohexyl]phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-[3-[(4-methylphenyl)carbamoyl]cyclohexyl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 494.56 g/mol, XLogP of 7.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[3-[(4-methylphenyl)carbamoyl]cyclohexyl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 148779366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).