N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide

C10H7F3N2O — CID 55209867

IUPACN-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)c1cccc(C#N)c1
InChIInChI=1S/C10H7F3N2O/c1-15(9(16)10(11,12)13)8-4-2-3-7(5-8)6-14/h2-5H,1H3
InChIKeyXDQCABVFDPFBFB-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.08
Rot. Bonds1

About N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide

N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide (PubChem CID 55209867) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide
PubChem CID55209867
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC NameN-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)c1cccc(C#N)c1
InChIInChI=1S/C10H7F3N2O/c1-15(9(16)10(11,12)13)8-4-2-3-7(5-8)6-14/h2-5H,1H3
InChIKeyXDQCABVFDPFBFB-UHFFFAOYSA-N
XLogP2.08
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide
CID 79813224
3-[(3-cyanophenyl)-methylcarbamoyl]benzoic acid
CID 62981166
2-amino-N-(3-cyanophenyl)-N-methylpropanamide
CID 62981812
(2Z,4Z)-2-(3-cyano-N-methylanilino)-4-(trifluoromethyl)hepta-2,4-dienoic acid
CID 144916386
2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide
CID 64593233
N-[3-cyano-4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide
CID 91677367
3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide
CID 62983145
(3-cyanophenyl)-[(2,2,2-trifluoroacetyl)amino]carbamic acid
CID 87972235
1-(3-cyanophenyl)-3-(3-isocyanophenyl)-1,3-dimethylurea
CID 58283045
2-[carboxymethyl-[(3-cyanophenyl)-methylcarbamoyl]amino]acetic acid
CID 63645997
N-(3-cyanophenyl)-N,2-dimethylpyrazole-3-carboxamide
CID 55153792
2-amino-N-(3-cyanophenyl)-4,5-difluoro-N-methylbenzamide
CID 62980898

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide (CID 55209867) is N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide is CN(C(=O)C(F)(F)F)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is XDQCABVFDPFBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c1-15(9(16)10(11,12)13)8-4-2-3-7(5-8)6-14/h2-5H,1H3.
What are the key properties of N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide?
N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 228.17 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 55209867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).