3-(cyclopropylamino)-N-(3,4,5-trifluorophenyl)propanamide

C12H13F3N2O — CID 62813705

IUPAC3-(cyclopropylamino)-N-(3,4,5-trifluorophenyl)propanamide
SMILESO=C(CCNC1CC1)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H13F3N2O/c13-9-5-8(6-10(14)12(9)15)17-11(18)3-4-16-7-1-2-7/h5-7,16H,1-4H2,(H,17,18)
InChIKeyZHEPWMJHHGGQMG-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.18
Rot. Bonds5

About 3-(cyclopropylamino)-N-(3,4,5-trifluorophenyl)propanamide

3-(cyclopropylamino)-N-(3,4,5-trifluorophenyl)propanamide (PubChem CID 62813705) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(3,4,5-trifluorophenyl)propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(3,4,5-trifluorophenyl)propanamide
PubChem CID62813705
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name3-(cyclopropylamino)-N-(3,4,5-trifluorophenyl)propanamide
SMILESO=C(CCNC1CC1)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H13F3N2O/c13-9-5-8(6-10(14)12(9)15)17-11(18)3-4-16-7-1-2-7/h5-7,16H,1-4H2,(H,17,18)
InChIKeyZHEPWMJHHGGQMG-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(cycloheptylamino)-N-(3,4-difluorophenyl)propanamide
CID 109031667
5-[3-(cyclopropylamino)propanoylamino]benzene-1,3-dicarboxylic acid
CID 61160112
3-(cyclopropylamino)-N-(2,6-difluoro-3-methylphenyl)propanamide
CID 82818657
N-(4-bromophenyl)-3-(cyclopropylamino)propanamide
CID 60723258
3-(cycloheptylamino)-N-(3,5-dichlorophenyl)propanamide
CID 109031654
3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide
CID 60842098
N-(4-chlorophenyl)-3-(cyclopentylamino)propanamide
CID 109013697
N-(4-acetylphenyl)-3-(cyclopropylamino)propanamide
CID 61258440
3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109013773
3-[3-(cyclopropylamino)propanoylamino]-5-fluoro-4-methylbenzamide
CID 60868211
3-(cyclopropylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 54924821
N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide
CID 54920451

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(3,4,5-trifluorophenyl)propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-(3,4,5-trifluorophenyl)propanamide (CID 62813705) is 3-(cyclopropylamino)-N-(3,4,5-trifluorophenyl)propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(3,4,5-trifluorophenyl)propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(3,4,5-trifluorophenyl)propanamide is O=C(CCNC1CC1)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 3-(cyclopropylamino)-N-(3,4,5-trifluorophenyl)propanamide?
The InChIKey is ZHEPWMJHHGGQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-9-5-8(6-10(14)12(9)15)17-11(18)3-4-16-7-1-2-7/h5-7,16H,1-4H2,(H,17,18).
What are the key properties of 3-(cyclopropylamino)-N-(3,4,5-trifluorophenyl)propanamide?
3-(cyclopropylamino)-N-(3,4,5-trifluorophenyl)propanamide has a molecular weight of 258.24 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(3,4,5-trifluorophenyl)propanamide is sourced from PubChem (CID 62813705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).