N-(5-chloro-2-fluorophenyl)-2-cyanoacetamide

C9H6ClFN2O — CID 43438521

IUPACN-(5-chloro-2-fluorophenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C9H6ClFN2O/c10-6-1-2-7(11)8(5-6)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14)
InChIKeyBNIBDIOZSXCWRC-UHFFFAOYSA-N
MW212.61 g/mol
LogP2.33
Rot. Bonds2

About N-(5-chloro-2-fluorophenyl)-2-cyanoacetamide

N-(5-chloro-2-fluorophenyl)-2-cyanoacetamide (PubChem CID 43438521) has the molecular formula C9H6ClFN2O and a molecular weight of 212.61 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-cyanoacetamide
PubChem CID43438521
Molecular FormulaC9H6ClFN2O
Molecular Weight212.61 g/mol
Exact Mass212.02
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C9H6ClFN2O/c10-6-1-2-7(11)8(5-6)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14)
InChIKeyBNIBDIOZSXCWRC-UHFFFAOYSA-N
XLogP2.33
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.61
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide
CID 81270486
2-cyano-N-(2,4-dichlorophenyl)acetamide
CID 693146
2-cyano-N-(2,3-dichloro-4-fluorophenyl)acetamide
CID 168520371
N-(4-chloro-5-fluoro-2-hydroxyphenyl)-2-cyanoacetamide
CID 168522906
N-(5-chloro-2-fluorophenyl)-2-hydroxyacetamide
CID 16769009
2-cyano-N-[2-fluoro-5-(trifluoromethoxy)phenyl]acetamide
CID 168520551
N-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide
CID 115138756
4-[(2-cyanoacetyl)amino]-3-fluorobenzoic acid
CID 168520110
N-(5-chloro-2-fluorophenyl)-2-(4-cyanoanilino)acetamide
CID 51183099
N-(5-chloro-2-fluorophenyl)-2-[(S)-2-hydroxyethylsulfinyl]acetamide
CID 97340008
3-chloro-N-[2-[(2-cyanoacetyl)amino]phenyl]benzamide
CID 108922875
5-(5-chloro-2-fluoroanilino)-5-oxopentanoic acid
CID 43396605

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-cyanoacetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-cyanoacetamide (CID 43438521) is N-(5-chloro-2-fluorophenyl)-2-cyanoacetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-cyanoacetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-cyanoacetamide is N#CCC(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-cyanoacetamide?
The InChIKey is BNIBDIOZSXCWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O/c10-6-1-2-7(11)8(5-6)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-cyanoacetamide?
N-(5-chloro-2-fluorophenyl)-2-cyanoacetamide has a molecular weight of 212.61 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-cyanoacetamide is sourced from PubChem (CID 43438521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).