4-(3-cyclohexylpropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide

C18H23F3N2O2 — CID 46803503

IUPAC4-(3-cyclohexylpropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(CCC1CCCCC1)Nc1ccc(C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C18H23F3N2O2/c19-18(20,21)12-22-17(25)14-7-9-15(10-8-14)23-16(24)11-6-13-4-2-1-3-5-13/h7-10,13H,1-6,11-12H2,(H,22,25)(H,23,24)
InChIKeyDYHXSTUSGBRJGZ-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.28
Rot. Bonds6

About 4-(3-cyclohexylpropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide

4-(3-cyclohexylpropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 46803503) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 4-(3-cyclohexylpropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-(3-cyclohexylpropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID46803503
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name4-(3-cyclohexylpropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(CCC1CCCCC1)Nc1ccc(C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C18H23F3N2O2/c19-18(20,21)12-22-17(25)14-7-9-15(10-8-14)23-16(24)11-6-13-4-2-1-3-5-13/h7-10,13H,1-6,11-12H2,(H,22,25)(H,23,24)
InChIKeyDYHXSTUSGBRJGZ-UHFFFAOYSA-N
XLogP4.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(3-cyclobutylpropanoylamino)benzoyl]amino]acetic acid
CID 120522605
4-(3-aminopropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 119290874
N-(4-acetylphenyl)-3-cyclopentylpropanamide
CID 835633
N-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062677
3-cyclohexyl-N-(4-sulfanylphenyl)propanamide
CID 27125888
3-[[4-(3-cyclopropylpropanoylamino)benzoyl]amino]propanoic acid
CID 119223043
2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid
CID 119220510
4-cyclohexyl-N-(2,2,2-trifluoroethyl)benzamide
CID 8900200
4-(7-aminoheptanoylamino)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119726154
4-(4-cyclohexylbutanoylamino)benzoic acid
CID 10803376
4-[(3-aminocyclopentanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 119726163
N-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide
CID 62302187

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexylpropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-(3-cyclohexylpropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide (CID 46803503) is 4-(3-cyclohexylpropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-(3-cyclohexylpropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-(3-cyclohexylpropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide is O=C(CCC1CCCCC1)Nc1ccc(C(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 4-(3-cyclohexylpropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is DYHXSTUSGBRJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c19-18(20,21)12-22-17(25)14-7-9-15(10-8-14)23-16(24)11-6-13-4-2-1-3-5-13/h7-10,13H,1-6,11-12H2,(H,22,25)(H,23,24).
What are the key properties of 4-(3-cyclohexylpropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide?
4-(3-cyclohexylpropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 356.39 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexylpropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 46803503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).