(5-chloro-2,4-dimethoxyphenyl)cyanamide

C9H9ClN2O2 — CID 62483892

IUPAC(5-chloro-2,4-dimethoxyphenyl)cyanamide
SMILESCOc1cc(OC)c(NC#N)cc1Cl
InChIInChI=1S/C9H9ClN2O2/c1-13-8-4-9(14-2)7(12-5-11)3-6(8)10/h3-4,12H,1-2H3
InChIKeyLMAGVQLPBLNOQM-UHFFFAOYSA-N
MW212.64 g/mol
LogP2.25
Rot. Bonds3

About (5-chloro-2,4-dimethoxyphenyl)cyanamide

(5-chloro-2,4-dimethoxyphenyl)cyanamide (PubChem CID 62483892) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is (5-chloro-2,4-dimethoxyphenyl)cyanamide.

Molecular Properties

Compound Name(5-chloro-2,4-dimethoxyphenyl)cyanamide
PubChem CID62483892
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name(5-chloro-2,4-dimethoxyphenyl)cyanamide
SMILESCOc1cc(OC)c(NC#N)cc1Cl
InChIInChI=1S/C9H9ClN2O2/c1-13-8-4-9(14-2)7(12-5-11)3-6(8)10/h3-4,12H,1-2H3
InChIKeyLMAGVQLPBLNOQM-UHFFFAOYSA-N
XLogP2.25
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2,5-dimethoxyanilino)acetonitrile
CID 28572786
5-chloro-2,4-dimethoxy-N-methylaniline
CID 28576065
2-(5-chloro-2,4-dimethoxyanilino)-5-methylbenzonitrile
CID 107926886
2-(5-chloro-2,4-dimethoxyanilino)cyclopentane-1-carbonitrile
CID 62741106
(5-chloro-2,4-dimethoxyphenyl) cyanate
CID 138585802
1-chloro-5-(dimethylsulfamoylamino)-2,4-dimethoxybenzene
CID 35767285
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
(4-fluoro-2-methoxyphenyl)cyanamide
CID 62482272
2-(5-chloro-2,4-dimethoxyanilino)-6-methylpyridine-4-carbonitrile
CID 114765705
2,5-dichloro-4-methoxy-N-methylaniline
CID 82283226
2-[(2,5-dichloro-4-methoxyanilino)methylidene]propanedinitrile
CID 168545306
5-chloro-N-(dicyclopropylmethyl)-2,4-dimethoxyaniline
CID 43362759

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,4-dimethoxyphenyl)cyanamide?
The IUPAC name of (5-chloro-2,4-dimethoxyphenyl)cyanamide (CID 62483892) is (5-chloro-2,4-dimethoxyphenyl)cyanamide.
What is the SMILES notation for (5-chloro-2,4-dimethoxyphenyl)cyanamide?
The canonical SMILES for (5-chloro-2,4-dimethoxyphenyl)cyanamide is COc1cc(OC)c(NC#N)cc1Cl.
What is the InChIKey of (5-chloro-2,4-dimethoxyphenyl)cyanamide?
The InChIKey is LMAGVQLPBLNOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-13-8-4-9(14-2)7(12-5-11)3-6(8)10/h3-4,12H,1-2H3.
What are the key properties of (5-chloro-2,4-dimethoxyphenyl)cyanamide?
(5-chloro-2,4-dimethoxyphenyl)cyanamide has a molecular weight of 212.64 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,4-dimethoxyphenyl)cyanamide is sourced from PubChem (CID 62483892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).