N-[2-amino-4-(trifluoromethyl)phenyl]-3-cyclobutyloxypropanamide

C14H17F3N2O2 — CID 62116305

IUPACN-[2-amino-4-(trifluoromethyl)phenyl]-3-cyclobutyloxypropanamide
SMILESNc1cc(C(F)(F)F)ccc1NC(=O)CCOC1CCC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)9-4-5-12(11(18)8-9)19-13(20)6-7-21-10-2-1-3-10/h4-5,8,10H,1-3,6-7,18H2,(H,19,20)
InChIKeyPLRLRUJBEZXFLA-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.19
Rot. Bonds5

About N-[2-amino-4-(trifluoromethyl)phenyl]-3-cyclobutyloxypropanamide

N-[2-amino-4-(trifluoromethyl)phenyl]-3-cyclobutyloxypropanamide (PubChem CID 62116305) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethyl)phenyl]-3-cyclobutyloxypropanamide.

Molecular Properties

Compound NameN-[2-amino-4-(trifluoromethyl)phenyl]-3-cyclobutyloxypropanamide
PubChem CID62116305
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-[2-amino-4-(trifluoromethyl)phenyl]-3-cyclobutyloxypropanamide
SMILESNc1cc(C(F)(F)F)ccc1NC(=O)CCOC1CCC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)9-4-5-12(11(18)8-9)19-13(20)6-7-21-10-2-1-3-10/h4-5,8,10H,1-3,6-7,18H2,(H,19,20)
InChIKeyPLRLRUJBEZXFLA-UHFFFAOYSA-N
XLogP3.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.19
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-chlorophenyl)-3-cyclopentyloxypropanamide
CID 16794047
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-cyclopropylethoxy)acetamide
CID 106199882
N-(2-amino-5-chlorophenyl)-3-cyclopentyloxypropanamide
CID 16792672
N-(2-amino-4-chlorophenyl)-4-cyclohexyloxybutanamide
CID 28549857
3-[2-amino-4-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 110480197
N-(5-amino-2-methylphenyl)-3-cyclobutyloxypropanamide
CID 62116315
N-[2-amino-4-(trifluoromethyl)phenyl]-3-propan-2-ylsulfanylpropanamide
CID 60886809
N-(3-amino-4-fluorophenyl)-3-cyclohexyloxypropanamide
CID 16787247
N-[2-amino-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-3-cyclohexylpropanamide
CID 154663570
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide
CID 16785588
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
N-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide
CID 62116153

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-3-cyclobutyloxypropanamide?
The IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-3-cyclobutyloxypropanamide (CID 62116305) is N-[2-amino-4-(trifluoromethyl)phenyl]-3-cyclobutyloxypropanamide.
What is the SMILES notation for N-[2-amino-4-(trifluoromethyl)phenyl]-3-cyclobutyloxypropanamide?
The canonical SMILES for N-[2-amino-4-(trifluoromethyl)phenyl]-3-cyclobutyloxypropanamide is Nc1cc(C(F)(F)F)ccc1NC(=O)CCOC1CCC1.
What is the InChIKey of N-[2-amino-4-(trifluoromethyl)phenyl]-3-cyclobutyloxypropanamide?
The InChIKey is PLRLRUJBEZXFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)9-4-5-12(11(18)8-9)19-13(20)6-7-21-10-2-1-3-10/h4-5,8,10H,1-3,6-7,18H2,(H,19,20).
What are the key properties of N-[2-amino-4-(trifluoromethyl)phenyl]-3-cyclobutyloxypropanamide?
N-[2-amino-4-(trifluoromethyl)phenyl]-3-cyclobutyloxypropanamide has a molecular weight of 302.30 g/mol, XLogP of 3.19, 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]-3-cyclobutyloxypropanamide is sourced from PubChem (CID 62116305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).