N-[4-cyano-2-(trifluoromethyl)phenyl]-2-(methylamino)propanamide

C12H12F3N3O — CID 62637842

IUPACN-[4-cyano-2-(trifluoromethyl)phenyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc(C#N)cc1C(F)(F)F
InChIInChI=1S/C12H12F3N3O/c1-7(17-2)11(19)18-10-4-3-8(6-16)5-9(10)12(13,14)15/h3-5,7,17H,1-2H3,(H,18,19)
InChIKeyJNLHRTBLOVYMEX-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.12
Rot. Bonds3

About N-[4-cyano-2-(trifluoromethyl)phenyl]-2-(methylamino)propanamide

N-[4-cyano-2-(trifluoromethyl)phenyl]-2-(methylamino)propanamide (PubChem CID 62637842) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is N-[4-cyano-2-(trifluoromethyl)phenyl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[4-cyano-2-(trifluoromethyl)phenyl]-2-(methylamino)propanamide
PubChem CID62637842
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC NameN-[4-cyano-2-(trifluoromethyl)phenyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc(C#N)cc1C(F)(F)F
InChIInChI=1S/C12H12F3N3O/c1-7(17-2)11(19)18-10-4-3-8(6-16)5-9(10)12(13,14)15/h3-5,7,17H,1-2H3,(H,18,19)
InChIKeyJNLHRTBLOVYMEX-UHFFFAOYSA-N
XLogP2.12
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 76888025
4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 80543421
N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79192157
N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide
CID 60705592
ethyl N-[4-cyano-2-(trifluoromethyl)phenyl]carbamate
CID 64591088
2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 24500719
N-[4-cyano-2-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 64591216
4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]butanamide
CID 43703864
4-cyano-N-methyl-2-(trifluoromethyl)benzamide
CID 58243803
N-[4-cyano-2-(trifluoromethyl)phenyl]formamide
CID 64992328
5-bromo-N-[4-cyano-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 60705604
1-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81179376

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-2-(trifluoromethyl)phenyl]-2-(methylamino)propanamide?
The IUPAC name of N-[4-cyano-2-(trifluoromethyl)phenyl]-2-(methylamino)propanamide (CID 62637842) is N-[4-cyano-2-(trifluoromethyl)phenyl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[4-cyano-2-(trifluoromethyl)phenyl]-2-(methylamino)propanamide?
The canonical SMILES for N-[4-cyano-2-(trifluoromethyl)phenyl]-2-(methylamino)propanamide is CNC(C)C(=O)Nc1ccc(C#N)cc1C(F)(F)F.
What is the InChIKey of N-[4-cyano-2-(trifluoromethyl)phenyl]-2-(methylamino)propanamide?
The InChIKey is JNLHRTBLOVYMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-7(17-2)11(19)18-10-4-3-8(6-16)5-9(10)12(13,14)15/h3-5,7,17H,1-2H3,(H,18,19).
What are the key properties of N-[4-cyano-2-(trifluoromethyl)phenyl]-2-(methylamino)propanamide?
N-[4-cyano-2-(trifluoromethyl)phenyl]-2-(methylamino)propanamide has a molecular weight of 271.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-2-(trifluoromethyl)phenyl]-2-(methylamino)propanamide is sourced from PubChem (CID 62637842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).