3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide

C20H19F3N2O2 — CID 3978789

IUPAC3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)C2CCCC2)c1
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)15-8-4-10-17(12-15)25-19(27)14-7-3-9-16(11-14)24-18(26)13-5-1-2-6-13/h3-4,7-13H,1-2,5-6H2,(H,24,26)(H,25,27)
InChIKeyXRVPZXJDSHUYEE-UHFFFAOYSA-N
MW376.38 g/mol
LogP5.09
Rot. Bonds4

About 3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide

3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 3978789) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID3978789
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)C2CCCC2)c1
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)15-8-4-10-17(12-15)25-19(27)14-7-3-9-16(11-14)24-18(26)13-5-1-2-6-13/h3-4,7-13H,1-2,5-6H2,(H,24,26)(H,25,27)
InChIKeyXRVPZXJDSHUYEE-UHFFFAOYSA-N
XLogP5.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.38
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 25275995
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide
CID 56593317
2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1313916
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 120605659
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3-[(2-cyclopentylacetyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54786676
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 155823176
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 3978789) is 3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)C2CCCC2)c1.
What is the InChIKey of 3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is XRVPZXJDSHUYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c21-20(22,23)15-8-4-10-17(12-15)25-19(27)14-7-3-9-16(11-14)24-18(26)13-5-1-2-6-13/h3-4,7-13H,1-2,5-6H2,(H,24,26)(H,25,27).
What are the key properties of 3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide?
3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 376.38 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 3978789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).