N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-methylpropoxy)propanamide

C14H19F3N2O2 — CID 43098659

IUPACN-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-methylpropoxy)propanamide
SMILESCC(C)COC(C)C(=O)Nc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C14H19F3N2O2/c1-8(2)7-21-9(3)13(20)19-12-5-4-10(6-11(12)18)14(15,16)17/h4-6,8-9H,7,18H2,1-3H3,(H,19,20)
InChIKeyOLBCRRYFAJNHQO-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.29
Rot. Bonds5

About N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-methylpropoxy)propanamide

N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-methylpropoxy)propanamide (PubChem CID 43098659) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-methylpropoxy)propanamide
PubChem CID43098659
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-methylpropoxy)propanamide
SMILESCC(C)COC(C)C(=O)Nc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C14H19F3N2O2/c1-8(2)7-21-9(3)13(20)19-12-5-4-10(6-11(12)18)14(15,16)17/h4-6,8-9H,7,18H2,1-3H3,(H,19,20)
InChIKeyOLBCRRYFAJNHQO-UHFFFAOYSA-N
XLogP3.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
N-[2-amino-4-(trifluoromethyl)phenyl]-2-methylsulfinylpropanamide
CID 61288881
N-[2-amino-4-(trifluoromethyl)phenyl]-2-ethylsulfanylpropanamide
CID 43188508
N-[2-amino-4-(trifluoromethyl)phenyl]-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 60960611
ethyl 2-[2-amino-4-(trifluoromethyl)anilino]propanoate
CID 61498205
N-(2-amino-4-methoxyphenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82005336
3-[2-amino-4-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 79152321
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide
CID 16785588
3-[2-amino-4-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 79153883
N-[2-amino-4-(trifluoromethyl)phenyl]-3-propan-2-ylsulfanylpropanamide
CID 60886809
N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 16794251
N-[2-amino-4-(trifluoromethyl)phenyl]-2-[methyl(propyl)amino]acetamide
CID 43270870

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-methylpropoxy)propanamide?
The IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-methylpropoxy)propanamide (CID 43098659) is N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-methylpropoxy)propanamide?
The canonical SMILES for N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-methylpropoxy)propanamide is CC(C)COC(C)C(=O)Nc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-methylpropoxy)propanamide?
The InChIKey is OLBCRRYFAJNHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-8(2)7-21-9(3)13(20)19-12-5-4-10(6-11(12)18)14(15,16)17/h4-6,8-9H,7,18H2,1-3H3,(H,19,20).
What are the key properties of N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-methylpropoxy)propanamide?
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-methylpropoxy)propanamide has a molecular weight of 304.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-methylpropoxy)propanamide is sourced from PubChem (CID 43098659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).