2-(cyclohexylamino)-N-[3-(trifluoromethyl)phenyl]acetamide

C15H19F3N2O — CID 856302

IUPAC2-(cyclohexylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNC1CCCCC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)11-5-4-8-13(9-11)20-14(21)10-19-12-6-2-1-3-7-12/h4-5,8-9,12,19H,1-3,6-7,10H2,(H,20,21)
InChIKeyBUVPXRLLVYZSRD-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.57
Rot. Bonds4

About 2-(cyclohexylamino)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(cyclohexylamino)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 856302) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID856302
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-(cyclohexylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNC1CCCCC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)11-5-4-8-13(9-11)20-14(21)10-19-12-6-2-1-3-7-12/h4-5,8-9,12,19H,1-3,6-7,10H2,(H,20,21)
InChIKeyBUVPXRLLVYZSRD-UHFFFAOYSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(cyclohexylamino)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 856302) is 2-(cyclohexylamino)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(cyclohexylamino)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CNC1CCCCC1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(cyclohexylamino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BUVPXRLLVYZSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)11-5-4-8-13(9-11)20-14(21)10-19-12-6-2-1-3-7-12/h4-5,8-9,12,19H,1-3,6-7,10H2,(H,20,21).
What are the key properties of 2-(cyclohexylamino)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(cyclohexylamino)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 300.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 856302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).