N-[2-(cyclohexanecarbonylamino)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide

C25H28F3N3O4 — CID 55805957

IUPACN-[2-(cyclohexanecarbonylamino)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
SMILESO=C(COc1ccc(C(=O)NCCNC(=O)C2CCCCC2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H28F3N3O4/c26-25(27,28)19-7-4-8-20(15-19)31-22(32)16-35-21-11-9-18(10-12-21)24(34)30-14-13-29-23(33)17-5-2-1-3-6-17/h4,7-12,15,17H,1-3,5-6,13-14,16H2,(H,29,33)(H,30,34)(H,31,32)
InChIKeyALOSHAPXCUWBES-UHFFFAOYSA-N
MW491.51 g/mol
LogP4.15
Rot. Bonds9

About N-[2-(cyclohexanecarbonylamino)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide

N-[2-(cyclohexanecarbonylamino)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide (PubChem CID 55805957) has the molecular formula C25H28F3N3O4 and a molecular weight of 491.51 g/mol. Its IUPAC name is N-[2-(cyclohexanecarbonylamino)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexanecarbonylamino)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
PubChem CID55805957
Molecular FormulaC25H28F3N3O4
Molecular Weight491.51 g/mol
Exact Mass491.20
IUPAC NameN-[2-(cyclohexanecarbonylamino)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
SMILESO=C(COc1ccc(C(=O)NCCNC(=O)C2CCCCC2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H28F3N3O4/c26-25(27,28)19-7-4-8-20(15-19)31-22(32)16-35-21-11-9-18(10-12-21)24(34)30-14-13-29-23(33)17-5-2-1-3-6-17/h4,7-12,15,17H,1-3,5-6,13-14,16H2,(H,29,33)(H,30,34)(H,31,32)
InChIKeyALOSHAPXCUWBES-UHFFFAOYSA-N
XLogP4.15
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.51
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 2194102
2-[4-(pyrrolidine-1-carbothioyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126247714
4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639192
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 121062397
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
2-(4-bromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1177163
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
CID 121062535
3-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167940
(3S)-5-oxo-1-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]-N-propylpyrrolidine-3-carboxamide
CID 126165123
N-[4-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 34431383
N-[3-(cyanomethoxy)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55800391
N-(2-ethyl-6-methylphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 112762733

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexanecarbonylamino)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
The IUPAC name of N-[2-(cyclohexanecarbonylamino)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide (CID 55805957) is N-[2-(cyclohexanecarbonylamino)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide.
What is the SMILES notation for N-[2-(cyclohexanecarbonylamino)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
The canonical SMILES for N-[2-(cyclohexanecarbonylamino)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide is O=C(COc1ccc(C(=O)NCCNC(=O)C2CCCCC2)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(cyclohexanecarbonylamino)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
The InChIKey is ALOSHAPXCUWBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O4/c26-25(27,28)19-7-4-8-20(15-19)31-22(32)16-35-21-11-9-18(10-12-21)24(34)30-14-13-29-23(33)17-5-2-1-3-6-17/h4,7-12,15,17H,1-3,5-6,13-14,16H2,(H,29,33)(H,30,34)(H,31,32).
What are the key properties of N-[2-(cyclohexanecarbonylamino)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
N-[2-(cyclohexanecarbonylamino)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide has a molecular weight of 491.51 g/mol, XLogP of 4.15, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexanecarbonylamino)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide is sourced from PubChem (CID 55805957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).