N-[3-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide

C14H19F3N2O2 — CID 78958455

IUPACN-[3-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)COc1cccc(NC(=O)CNCC(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c1-10(2)8-21-12-5-3-4-11(6-12)19-13(20)7-18-9-14(15,16)17/h3-6,10,18H,7-9H2,1-2H3,(H,19,20)
InChIKeyHPAWFMPMTOGEKV-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.81
Rot. Bonds7

About N-[3-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[3-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958455) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958455
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-[3-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)COc1cccc(NC(=O)CNCC(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c1-10(2)8-21-12-5-3-4-11(6-12)19-13(20)7-18-9-14(15,16)17/h3-6,10,18H,7-9H2,1-2H3,(H,19,20)
InChIKeyHPAWFMPMTOGEKV-UHFFFAOYSA-N
XLogP2.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 78924197
N-[3-(2-methylpropoxy)phenyl]-2-(prop-2-enylamino)acetamide
CID 54818464
ethyl 3-[3-(2-methylpropoxy)anilino]-3-oxopropanoate
CID 17097553
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
3-[3-(2-methylpropoxy)anilino]-3-oxopropanoic acid
CID 62230040
2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499
2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54826384
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
2-(furan-2-ylmethylamino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54818949
4-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 81075304
3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 64684468

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[3-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958455) is N-[3-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[3-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[3-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide is CC(C)COc1cccc(NC(=O)CNCC(F)(F)F)c1.
What is the InChIKey of N-[3-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is HPAWFMPMTOGEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-10(2)8-21-12-5-3-4-11(6-12)19-13(20)7-18-9-14(15,16)17/h3-6,10,18H,7-9H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[3-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 304.31 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).