2-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide

C10H6ClF3N2O — CID 112556074

IUPAC2-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
SMILESN#Cc1cc(C(F)(F)F)ccc1NC(=O)CCl
InChIInChI=1S/C10H6ClF3N2O/c11-4-9(17)16-8-2-1-7(10(12,13)14)3-6(8)5-15/h1-3H,4H2,(H,16,17)
InChIKeyVPDHTFHGOPFIEK-UHFFFAOYSA-N
MW262.62 g/mol
LogP2.75
Rot. Bonds2

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

2-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 112556074) has the molecular formula C10H6ClF3N2O and a molecular weight of 262.62 g/mol. Its IUPAC name is 2-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
PubChem CID112556074
Molecular FormulaC10H6ClF3N2O
Molecular Weight262.62 g/mol
Exact Mass262.01
IUPAC Name2-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
SMILESN#Cc1cc(C(F)(F)F)ccc1NC(=O)CCl
InChIInChI=1S/C10H6ClF3N2O/c11-4-9(17)16-8-2-1-7(10(12,13)14)3-6(8)5-15/h1-3H,4H2,(H,16,17)
InChIKeyVPDHTFHGOPFIEK-UHFFFAOYSA-N
XLogP2.75
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.62
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-cyano-4-(trifluoromethyl)phenyl]propanamide
CID 112556165
N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 67798826
N-[2-cyano-4-(trifluoromethyl)phenyl]-4-(methylamino)butanamide
CID 115911191
N-[2-cyano-4-(trifluoromethyl)phenyl]-3-(propan-2-ylamino)propanamide
CID 115911205
N-[2-cyano-4-(trifluoromethyl)phenyl]-3-methoxypropanamide
CID 112556172
2-[[2-cyano-4-(trifluoromethyl)phenyl]carbamoylamino]acetic acid
CID 115911428
N-[2-cyano-4-(trifluoromethyl)phenyl]-2-pyrrolidin-3-ylacetamide
CID 115911184
3-[2-cyano-4-(trifluoromethyl)anilino]propanoic acid
CID 43331025
3-[2-cyano-4-(trifluoromethyl)anilino]propanamide
CID 43553728
(2S)-2-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]butanamide
CID 103930468
1-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]methanesulfonamide
CID 112556251
3-[2-cyano-4-(trifluoromethyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114898911

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide (CID 112556074) is 2-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide is N#Cc1cc(C(F)(F)F)ccc1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VPDHTFHGOPFIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2O/c11-4-9(17)16-8-2-1-7(10(12,13)14)3-6(8)5-15/h1-3H,4H2,(H,16,17).
What are the key properties of 2-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide?
2-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 262.62 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 112556074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).