(3-chloro-4-methoxyphenyl)-[2-(2-hydroxyethoxy)ethyl]cyanamide

C12H15ClN2O3 — CID 110018828

IUPAC(3-chloro-4-methoxyphenyl)-[2-(2-hydroxyethoxy)ethyl]cyanamide
SMILESCOc1ccc(N(C#N)CCOCCO)cc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-17-12-3-2-10(8-11(12)13)15(9-14)4-6-18-7-5-16/h2-3,8,16H,4-7H2,1H3
InChIKeyCWWAHANEVRZINJ-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.64
Rot. Bonds7

About (3-chloro-4-methoxyphenyl)-[2-(2-hydroxyethoxy)ethyl]cyanamide

(3-chloro-4-methoxyphenyl)-[2-(2-hydroxyethoxy)ethyl]cyanamide (PubChem CID 110018828) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-[2-(2-hydroxyethoxy)ethyl]cyanamide.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-[2-(2-hydroxyethoxy)ethyl]cyanamide
PubChem CID110018828
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name(3-chloro-4-methoxyphenyl)-[2-(2-hydroxyethoxy)ethyl]cyanamide
SMILESCOc1ccc(N(C#N)CCOCCO)cc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-17-12-3-2-10(8-11(12)13)15(9-14)4-6-18-7-5-16/h2-3,8,16H,4-7H2,1H3
InChIKeyCWWAHANEVRZINJ-UHFFFAOYSA-N
XLogP1.64
TPSA65.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze (3-chloro-4-methoxyphenyl)-[2-(2-hydroxyethoxy)ethyl]cyanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3-chloro-N-cyano-4-methoxyanilino)propyl]acetamide
CID 75518549
(3-chloro-4-methoxyphenyl)-[[3-(hydroxymethyl)oxetan-3-yl]methyl]cyanamide
CID 110018824
3-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzenesulfonamide
CID 62498134
3-(3-chloro-4-methoxy-N-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135194
3-(3-chloro-4-methoxy-N-methylanilino)propane-1-thiol
CID 115224695
2-(3-chloro-4-methoxyphenyl)-2-(3-hydroxypropylamino)acetonitrile
CID 65026803
3-(3-chloro-4-methoxyphenyl)sulfanylpropan-1-ol
CID 117033419
4-(3-chloro-N-ethyl-4-methoxyanilino)butanoic acid
CID 100521803
2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide
CID 115179694
N-(3-chloro-4-methoxyphenyl)-4-cyano-N-methylbutane-1-sulfonamide
CID 71920586
2-(3-chloro-4-methoxyphenyl)-5-methoxy-3-oxopentanenitrile
CID 112511045
3-[3-chloro-N-[2-(dimethylamino)ethyl]-4-methoxyanilino]propanoic acid
CID 82319809

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-[2-(2-hydroxyethoxy)ethyl]cyanamide?
The IUPAC name of (3-chloro-4-methoxyphenyl)-[2-(2-hydroxyethoxy)ethyl]cyanamide (CID 110018828) is (3-chloro-4-methoxyphenyl)-[2-(2-hydroxyethoxy)ethyl]cyanamide.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-[2-(2-hydroxyethoxy)ethyl]cyanamide?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-[2-(2-hydroxyethoxy)ethyl]cyanamide is COc1ccc(N(C#N)CCOCCO)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-[2-(2-hydroxyethoxy)ethyl]cyanamide?
The InChIKey is CWWAHANEVRZINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-17-12-3-2-10(8-11(12)13)15(9-14)4-6-18-7-5-16/h2-3,8,16H,4-7H2,1H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-[2-(2-hydroxyethoxy)ethyl]cyanamide?
(3-chloro-4-methoxyphenyl)-[2-(2-hydroxyethoxy)ethyl]cyanamide has a molecular weight of 270.72 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-[2-(2-hydroxyethoxy)ethyl]cyanamide is sourced from PubChem (CID 110018828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).