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

C11H9F3N2O — CID 60705592

IUPACN-[4-cyano-2-(trifluoromethyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C#N)cc1C(F)(F)F
InChIInChI=1S/C11H9F3N2O/c1-2-10(17)16-9-4-3-7(6-15)5-8(9)11(12,13)14/h3-5H,2H2,1H3,(H,16,17)
InChIKeyCTSJWVHUZSDEGF-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.93
Rot. Bonds2

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

N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide (PubChem CID 60705592) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-cyano-2-(trifluoromethyl)phenyl]propanamide
PubChem CID60705592
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC NameN-[4-cyano-2-(trifluoromethyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C#N)cc1C(F)(F)F
InChIInChI=1S/C11H9F3N2O/c1-2-10(17)16-9-4-3-7(6-15)5-8(9)11(12,13)14/h3-5H,2H2,1H3,(H,16,17)
InChIKeyCTSJWVHUZSDEGF-UHFFFAOYSA-N
XLogP2.93
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79192157
ethyl N-[4-cyano-2-(trifluoromethyl)phenyl]carbamate
CID 64591088
4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]butanamide
CID 43703864
4-(ethylamino)-3-(trifluoromethyl)benzonitrile
CID 43687096
N-[4-cyano-2-(trifluoromethyl)phenyl]-2-(methylamino)propanamide
CID 62637842
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-[2-cyano-4-(trifluoromethyl)phenyl]propanamide
CID 112556165
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
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 16511735

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide (CID 60705592) is N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide is CCC(=O)Nc1ccc(C#N)cc1C(F)(F)F.
What is the InChIKey of N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is CTSJWVHUZSDEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-2-10(17)16-9-4-3-7(6-15)5-8(9)11(12,13)14/h3-5H,2H2,1H3,(H,16,17).
What are the key properties of N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide?
N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 242.20 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 60705592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).