N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)acetamide

C12H14F4N2O — CID 63035996

IUPACN-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H14F4N2O/c1-2-5-17-7-11(19)18-10-6-8(12(14,15)16)3-4-9(10)13/h3-4,6,17H,2,5,7H2,1H3,(H,18,19)
InChIKeySDMCUHSJOBBNGW-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.78
Rot. Bonds5

About N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)acetamide

N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)acetamide (PubChem CID 63035996) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)acetamide
PubChem CID63035996
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC NameN-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H14F4N2O/c1-2-5-17-7-11(19)18-10-6-8(12(14,15)16)3-4-9(10)13/h3-4,6,17H,2,5,7H2,1H3,(H,18,19)
InChIKeySDMCUHSJOBBNGW-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide
CID 78953142
2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 60648393
3-[2-fluoro-5-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 63049503
2-(2-methoxyethylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide
CID 119893578
2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119893557
2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide
CID 79814613
N-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide
CID 60648489
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120559768
2-[2-fluoro-5-(trifluoromethyl)anilino]-N-propylpropanamide
CID 63037185
2-chloro-N-[5-(1,1-difluoroethyl)-2-fluorophenyl]acetamide
CID 166428369
2-(aminomethyl)-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide
CID 63036682
5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide
CID 55143429

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)acetamide?
The IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)acetamide (CID 63035996) is N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)acetamide.
What is the SMILES notation for N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)acetamide?
The canonical SMILES for N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)acetamide is CCCNCC(=O)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)acetamide?
The InChIKey is SDMCUHSJOBBNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O/c1-2-5-17-7-11(19)18-10-6-8(12(14,15)16)3-4-9(10)13/h3-4,6,17H,2,5,7H2,1H3,(H,18,19).
What are the key properties of N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)acetamide?
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)acetamide has a molecular weight of 278.25 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)acetamide is sourced from PubChem (CID 63035996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).