N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide

C10H9ClN2O2 — CID 3854691

IUPACN-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
SMILESCOc1ccc(NC(=O)CC#N)cc1Cl
InChIInChI=1S/C10H9ClN2O2/c1-15-9-3-2-7(6-8(9)11)13-10(14)4-5-12/h2-3,6H,4H2,1H3,(H,13,14)
InChIKeyLVBZGBGZBJPXKO-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.20
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide

N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide (PubChem CID 3854691) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
PubChem CID3854691
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
SMILESCOc1ccc(NC(=O)CC#N)cc1Cl
InChIInChI=1S/C10H9ClN2O2/c1-15-9-3-2-7(6-8(9)11)13-10(14)4-5-12/h2-3,6H,4H2,1H3,(H,13,14)
InChIKeyLVBZGBGZBJPXKO-UHFFFAOYSA-N
XLogP2.20
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2449668
1-(3-chloro-4-methoxyphenyl)-3-[(2-cyanoacetyl)amino]thiourea
CID 130360991
2-cyano-N-(3-ethyl-4-methoxyphenyl)acetamide
CID 115172874
N'-(3-chloro-4-methoxyphenyl)-N-(4-cyanophenyl)propanediamide
CID 108955433
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
2-cyano-N-(3-ethenyl-4-methoxyphenyl)acetamide
CID 168523675
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide
CID 26437475
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2959650
N-[3-chloro-4-(3-fluorophenoxy)phenyl]-2-cyanoacetamide
CID 168522857
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide
CID 168520198

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide (CID 3854691) is N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide is COc1ccc(NC(=O)CC#N)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide?
The InChIKey is LVBZGBGZBJPXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-15-9-3-2-7(6-8(9)11)13-10(14)4-5-12/h2-3,6H,4H2,1H3,(H,13,14).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide?
N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide has a molecular weight of 224.65 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide is sourced from PubChem (CID 3854691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).