N-[3-(cyclohexanecarbonylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide

C22H23F3N2O2 — CID 134118758

IUPACN-[3-(cyclohexanecarbonylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(NC(=O)C3CCCCC3)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H23F3N2O2/c1-14-7-9-16(10-8-14)21(29)27-19-12-17(22(23,24)25)11-18(13-19)26-20(28)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,26,28)(H,27,29)
InChIKeyFNFVMLMPFQKLKH-UHFFFAOYSA-N
MW404.43 g/mol
LogP5.78
Rot. Bonds4

About N-[3-(cyclohexanecarbonylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide

N-[3-(cyclohexanecarbonylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide (PubChem CID 134118758) has the molecular formula C22H23F3N2O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[3-(cyclohexanecarbonylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(cyclohexanecarbonylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
PubChem CID134118758
Molecular FormulaC22H23F3N2O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC NameN-[3-(cyclohexanecarbonylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(NC(=O)C3CCCCC3)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H23F3N2O2/c1-14-7-9-16(10-8-14)21(29)27-19-12-17(22(23,24)25)11-18(13-19)26-20(28)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,26,28)(H,27,29)
InChIKeyFNFVMLMPFQKLKH-UHFFFAOYSA-N
XLogP5.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.43
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-(cyclohexanecarbonylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide
CID 29204823
3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3978789
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 120605581
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide;hydrochloride
CID 120605580
N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 43872799
4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174184894
4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 4510434
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
CID 120605415
N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 25275995
N-[4-methyl-3-[3-[(4-methylphenyl)carbamoyl]cyclohexyl]phenyl]-3-(trifluoromethyl)benzamide
CID 148779366

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexanecarbonylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
The IUPAC name of N-[3-(cyclohexanecarbonylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide (CID 134118758) is N-[3-(cyclohexanecarbonylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-(cyclohexanecarbonylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
The canonical SMILES for N-[3-(cyclohexanecarbonylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(NC(=O)C3CCCCC3)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[3-(cyclohexanecarbonylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
The InChIKey is FNFVMLMPFQKLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O2/c1-14-7-9-16(10-8-14)21(29)27-19-12-17(22(23,24)25)11-18(13-19)26-20(28)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-(cyclohexanecarbonylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
N-[3-(cyclohexanecarbonylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide has a molecular weight of 404.43 g/mol, XLogP of 5.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexanecarbonylamino)-5-(trifluoromethyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 134118758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).