N-(3-chloro-4-ethoxyphenyl)-1-cyanoformamide

C10H9ClN2O2 — CID 115171854

IUPACN-(3-chloro-4-ethoxyphenyl)-1-cyanoformamide
SMILESCCOc1ccc(NC(=O)C#N)cc1Cl
InChIInChI=1S/C10H9ClN2O2/c1-2-15-9-4-3-7(5-8(9)11)13-10(14)6-12/h3-5H,2H2,1H3,(H,13,14)
InChIKeyWUVXJLRCAZBWTJ-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.20
Rot. Bonds3

About N-(3-chloro-4-ethoxyphenyl)-1-cyanoformamide

N-(3-chloro-4-ethoxyphenyl)-1-cyanoformamide (PubChem CID 115171854) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is N-(3-chloro-4-ethoxyphenyl)-1-cyanoformamide.

Molecular Properties

Compound NameN-(3-chloro-4-ethoxyphenyl)-1-cyanoformamide
PubChem CID115171854
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC NameN-(3-chloro-4-ethoxyphenyl)-1-cyanoformamide
SMILESCCOc1ccc(NC(=O)C#N)cc1Cl
InChIInChI=1S/C10H9ClN2O2/c1-2-15-9-4-3-7(5-8(9)11)13-10(14)6-12/h3-5H,2H2,1H3,(H,13,14)
InChIKeyWUVXJLRCAZBWTJ-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

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
CID 19834572
N-[(3-chloro-4-ethoxyphenyl)methyl]-1-cyanoformamide
CID 115172175
N-(3-chloro-4-ethoxyphenyl)pyridine-4-carboxamide
CID 110777433
3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide
CID 81489227
2-(tert-butylamino)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 49488972
2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 54862511
N-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide
CID 79199515
(2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 61179599
1-cyano-N-(3-ethyl-4-methoxyphenyl)formamide
CID 115171848
2-anilino-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 60927630
2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 79472891
2-amino-N-(3-chloro-4-ethoxyphenyl)butanediamide
CID 54862584

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-ethoxyphenyl)-1-cyanoformamide?
The IUPAC name of N-(3-chloro-4-ethoxyphenyl)-1-cyanoformamide (CID 115171854) is N-(3-chloro-4-ethoxyphenyl)-1-cyanoformamide.
What is the SMILES notation for N-(3-chloro-4-ethoxyphenyl)-1-cyanoformamide?
The canonical SMILES for N-(3-chloro-4-ethoxyphenyl)-1-cyanoformamide is CCOc1ccc(NC(=O)C#N)cc1Cl.
What is the InChIKey of N-(3-chloro-4-ethoxyphenyl)-1-cyanoformamide?
The InChIKey is WUVXJLRCAZBWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-2-15-9-4-3-7(5-8(9)11)13-10(14)6-12/h3-5H,2H2,1H3,(H,13,14).
What are the key properties of N-(3-chloro-4-ethoxyphenyl)-1-cyanoformamide?
N-(3-chloro-4-ethoxyphenyl)-1-cyanoformamide 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-ethoxyphenyl)-1-cyanoformamide is sourced from PubChem (CID 115171854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).