2-(cyclohexanecarbonylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]benzamide

C27H25F3N2O2 — CID 56593308

IUPAC2-(cyclohexanecarbonylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccccc2C(F)(F)F)c1)c1ccccc1NC(=O)C1CCCCC1
InChIInChI=1S/C27H25F3N2O2/c28-27(29,30)23-15-6-4-13-21(23)19-11-8-12-20(17-19)31-26(34)22-14-5-7-16-24(22)32-25(33)18-9-2-1-3-10-18/h4-8,11-18H,1-3,9-10H2,(H,31,34)(H,32,33)
InChIKeyVNXLCRZLATUWJC-UHFFFAOYSA-N
MW466.50 g/mol
LogP7.14
Rot. Bonds5

About 2-(cyclohexanecarbonylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]benzamide

2-(cyclohexanecarbonylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]benzamide (PubChem CID 56593308) has the molecular formula C27H25F3N2O2 and a molecular weight of 466.50 g/mol. Its IUPAC name is 2-(cyclohexanecarbonylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]benzamide.

Molecular Properties

Compound Name2-(cyclohexanecarbonylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]benzamide
PubChem CID56593308
Molecular FormulaC27H25F3N2O2
Molecular Weight466.50 g/mol
Exact Mass466.19
IUPAC Name2-(cyclohexanecarbonylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccccc2C(F)(F)F)c1)c1ccccc1NC(=O)C1CCCCC1
InChIInChI=1S/C27H25F3N2O2/c28-27(29,30)23-15-6-4-13-21(23)19-11-8-12-20(17-19)31-26(34)22-14-5-7-16-24(22)32-25(33)18-9-2-1-3-10-18/h4-8,11-18H,1-3,9-10H2,(H,31,34)(H,32,33)
InChIKeyVNXLCRZLATUWJC-UHFFFAOYSA-N
XLogP7.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.50
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(cyclobutanecarbonylamino)-N-phenylbenzamide
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N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]piperidine-4-carboxamide;hydrochloride
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CID 110602595
N-(2-acetylphenyl)-3-(cyclohexanecarbonylamino)benzamide
CID 55666415
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
N-(4-anilinophenyl)-2-(cyclopropanecarbonylamino)benzamide
CID 4942014
N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
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CID 43057660

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexanecarbonylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]benzamide?
The IUPAC name of 2-(cyclohexanecarbonylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]benzamide (CID 56593308) is 2-(cyclohexanecarbonylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]benzamide.
What is the SMILES notation for 2-(cyclohexanecarbonylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]benzamide?
The canonical SMILES for 2-(cyclohexanecarbonylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]benzamide is O=C(Nc1cccc(-c2ccccc2C(F)(F)F)c1)c1ccccc1NC(=O)C1CCCCC1.
What is the InChIKey of 2-(cyclohexanecarbonylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]benzamide?
The InChIKey is VNXLCRZLATUWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N2O2/c28-27(29,30)23-15-6-4-13-21(23)19-11-8-12-20(17-19)31-26(34)22-14-5-7-16-24(22)32-25(33)18-9-2-1-3-10-18/h4-8,11-18H,1-3,9-10H2,(H,31,34)(H,32,33).
What are the key properties of 2-(cyclohexanecarbonylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]benzamide?
2-(cyclohexanecarbonylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]benzamide has a molecular weight of 466.50 g/mol, XLogP of 7.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexanecarbonylamino)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]benzamide is sourced from PubChem (CID 56593308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).