2-cyano-N-[2,6-dichloro-3-(trifluoromethyl)phenyl]acetamide

C10H5Cl2F3N2O — CID 168521011

IUPAC2-cyano-N-[2,6-dichloro-3-(trifluoromethyl)phenyl]acetamide
SMILESN#CCC(=O)Nc1c(Cl)ccc(C(F)(F)F)c1Cl
InChIInChI=1S/C10H5Cl2F3N2O/c11-6-2-1-5(10(13,14)15)8(12)9(6)17-7(18)3-4-16/h1-2H,3H2,(H,17,18)
InChIKeyHAVMCCAASWBOBJ-UHFFFAOYSA-N
MW297.06 g/mol
LogP3.86
Rot. Bonds2

About 2-cyano-N-[2,6-dichloro-3-(trifluoromethyl)phenyl]acetamide

2-cyano-N-[2,6-dichloro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 168521011) has the molecular formula C10H5Cl2F3N2O and a molecular weight of 297.06 g/mol. Its IUPAC name is 2-cyano-N-[2,6-dichloro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2,6-dichloro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID168521011
Molecular FormulaC10H5Cl2F3N2O
Molecular Weight297.06 g/mol
Exact Mass295.97
IUPAC Name2-cyano-N-[2,6-dichloro-3-(trifluoromethyl)phenyl]acetamide
SMILESN#CCC(=O)Nc1c(Cl)ccc(C(F)(F)F)c1Cl
InChIInChI=1S/C10H5Cl2F3N2O/c11-6-2-1-5(10(13,14)15)8(12)9(6)17-7(18)3-4-16/h1-2H,3H2,(H,17,18)
InChIKeyHAVMCCAASWBOBJ-UHFFFAOYSA-N
XLogP3.86
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.06
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-[2,3,6-trichloro-4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 168522275
N-(3-bromo-6-chloro-2-cyanophenyl)-2-cyanoacetamide
CID 168523742
N-(6-chloro-2-fluoro-3-methoxyphenyl)-2-cyanoacetamide
CID 168521238
N-(3-chloro-2,6-dimethylphenyl)-2-cyanoacetamide
CID 82677698
2-cyano-N-(2,6-dichloro-4-cyanophenyl)acetamide
CID 168524089
N-(6-bromo-3,4-dichloro-2-fluorophenyl)-2-cyanoacetamide
CID 168521570
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyanoacetamide
CID 64854761
2-cyano-N-(2,6-difluorophenyl)acetamide
CID 13174846
2-[2,3-dichloro-6-(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168607573
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(2-cyanoacetyl)amino]urea
CID 4689522
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide
CID 94285475
N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
CID 64591639

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2,6-dichloro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[2,6-dichloro-3-(trifluoromethyl)phenyl]acetamide (CID 168521011) is 2-cyano-N-[2,6-dichloro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2,6-dichloro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[2,6-dichloro-3-(trifluoromethyl)phenyl]acetamide is N#CCC(=O)Nc1c(Cl)ccc(C(F)(F)F)c1Cl.
What is the InChIKey of 2-cyano-N-[2,6-dichloro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HAVMCCAASWBOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F3N2O/c11-6-2-1-5(10(13,14)15)8(12)9(6)17-7(18)3-4-16/h1-2H,3H2,(H,17,18).
What are the key properties of 2-cyano-N-[2,6-dichloro-3-(trifluoromethyl)phenyl]acetamide?
2-cyano-N-[2,6-dichloro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 297.06 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2,6-dichloro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 168521011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).