2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide

C13H17F3N2O — CID 60796923

IUPAC2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESCCCNC(C)(C(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-3-7-18-12(2,11(17)19)9-5-4-6-10(8-9)13(14,15)16/h4-6,8,18H,3,7H2,1-2H3,(H2,17,19)
InChIKeyMEDNJOMKEOFQKP-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.41
Rot. Bonds5

About 2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide

2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 60796923) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID60796923
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESCCCNC(C)(C(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-3-7-18-12(2,11(17)19)9-5-4-6-10(8-9)13(14,15)16/h4-6,8,18H,3,7H2,1-2H3,(H2,17,19)
InChIKeyMEDNJOMKEOFQKP-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-aminoacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 119338792
(2S)-2-[(2-methylsulfanylacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 96528918
4-amino-N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide
CID 119338802
2-(4-phenylphenyl)-2-(propylamino)propanamide
CID 60795385
2-(4-bromophenyl)-2-(propylamino)propanamide
CID 60795515
2-(3-fluorophenyl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 54892842
3-(ethylamino)-3-[3-(trifluoromethyl)phenyl]butanamide
CID 65234342
2-(2-methoxypropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
CID 71977559
2-(3-pyrimidin-5-ylpropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
CID 167951535
ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate
CID 60796515
N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyridine-2-carboxamide
CID 71977558
(2S)-2-(but-3-enylamino)-2-(3-chlorophenyl)propanamide
CID 97020992

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide (CID 60796923) is 2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide is CCCNC(C)(C(N)=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is MEDNJOMKEOFQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-3-7-18-12(2,11(17)19)9-5-4-6-10(8-9)13(14,15)16/h4-6,8,18H,3,7H2,1-2H3,(H2,17,19).
What are the key properties of 2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide?
2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 274.29 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 60796923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).