2-[2-[[4-(trifluoromethyl)cyclohexyl]amino]phenyl]acetamide

C15H19F3N2O — CID 64754665

IUPAC2-[2-[[4-(trifluoromethyl)cyclohexyl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccccc1NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)11-5-7-12(8-6-11)20-13-4-2-1-3-10(13)9-14(19)21/h1-4,11-12,20H,5-9H2,(H2,19,21)
InChIKeyRHPZDUVETWNZJB-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.25
Rot. Bonds4

About 2-[2-[[4-(trifluoromethyl)cyclohexyl]amino]phenyl]acetamide

2-[2-[[4-(trifluoromethyl)cyclohexyl]amino]phenyl]acetamide (PubChem CID 64754665) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[2-[[4-(trifluoromethyl)cyclohexyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[[4-(trifluoromethyl)cyclohexyl]amino]phenyl]acetamide
PubChem CID64754665
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-[2-[[4-(trifluoromethyl)cyclohexyl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccccc1NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)11-5-7-12(8-6-11)20-13-4-2-1-3-10(13)9-14(19)21/h1-4,11-12,20H,5-9H2,(H2,19,21)
InChIKeyRHPZDUVETWNZJB-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 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 ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(trifluoromethyl)cyclohexyl]amino]phenyl]acetamide?
The IUPAC name of 2-[2-[[4-(trifluoromethyl)cyclohexyl]amino]phenyl]acetamide (CID 64754665) is 2-[2-[[4-(trifluoromethyl)cyclohexyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[2-[[4-(trifluoromethyl)cyclohexyl]amino]phenyl]acetamide?
The canonical SMILES for 2-[2-[[4-(trifluoromethyl)cyclohexyl]amino]phenyl]acetamide is NC(=O)Cc1ccccc1NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[2-[[4-(trifluoromethyl)cyclohexyl]amino]phenyl]acetamide?
The InChIKey is RHPZDUVETWNZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)11-5-7-12(8-6-11)20-13-4-2-1-3-10(13)9-14(19)21/h1-4,11-12,20H,5-9H2,(H2,19,21).
What are the key properties of 2-[2-[[4-(trifluoromethyl)cyclohexyl]amino]phenyl]acetamide?
2-[2-[[4-(trifluoromethyl)cyclohexyl]amino]phenyl]acetamide has a molecular weight of 300.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(trifluoromethyl)cyclohexyl]amino]phenyl]acetamide is sourced from PubChem (CID 64754665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).