(3,5-dichloro-2-methoxyphenyl)-methylcyanamide

C9H8Cl2N2O — CID 117043212

IUPAC(3,5-dichloro-2-methoxyphenyl)-methylcyanamide
SMILESCOc1c(Cl)cc(Cl)cc1N(C)C#N
InChIInChI=1S/C9H8Cl2N2O/c1-13(5-12)8-4-6(10)3-7(11)9(8)14-2/h3-4H,1-2H3
InChIKeyQHHNOSKHOKLOQV-UHFFFAOYSA-N
MW231.08 g/mol
LogP2.92
Rot. Bonds2

About (3,5-dichloro-2-methoxyphenyl)-methylcyanamide

(3,5-dichloro-2-methoxyphenyl)-methylcyanamide (PubChem CID 117043212) has the molecular formula C9H8Cl2N2O and a molecular weight of 231.08 g/mol. Its IUPAC name is (3,5-dichloro-2-methoxyphenyl)-methylcyanamide.

Molecular Properties

Compound Name(3,5-dichloro-2-methoxyphenyl)-methylcyanamide
PubChem CID117043212
Molecular FormulaC9H8Cl2N2O
Molecular Weight231.08 g/mol
Exact Mass230.00
IUPAC Name(3,5-dichloro-2-methoxyphenyl)-methylcyanamide
SMILESCOc1c(Cl)cc(Cl)cc1N(C)C#N
InChIInChI=1S/C9H8Cl2N2O/c1-13(5-12)8-4-6(10)3-7(11)9(8)14-2/h3-4H,1-2H3
InChIKeyQHHNOSKHOKLOQV-UHFFFAOYSA-N
XLogP2.92
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3,5-dichloro-2-methoxyphenyl)ethyl-methylcyanamide
CID 117043509
N-(3,5-dichloro-2-methoxyphenyl)-N-methylcarbamoyl chloride
CID 115194513
N'-(3,5-dichloro-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 96680421
3-(3,5-dichloro-2-methoxy-N-methylanilino)propan-1-ol
CID 115216753
3,5-dichloro-2-methoxyaniline
CID 11217747
(2-chloro-5-methylphenyl)-methylcyanamide
CID 10654977
1-(3,5-dichloro-2-methoxyphenyl)ethanol
CID 82267021
methane;1,2,3,4,5-pentafluoro-6-methoxybenzene;1,3,5-trichloro-2-methoxybenzene
CID 157172540
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
2-(3,5-dichloro-2-methoxyphenyl)-2-methylcyclopropane-1-carbonitrile
CID 116841855
(1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine
CID 66517963
(2-chloro-5-ethylphenyl)-methylcyanamide
CID 10559746

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-methoxyphenyl)-methylcyanamide?
The IUPAC name of (3,5-dichloro-2-methoxyphenyl)-methylcyanamide (CID 117043212) is (3,5-dichloro-2-methoxyphenyl)-methylcyanamide.
What is the SMILES notation for (3,5-dichloro-2-methoxyphenyl)-methylcyanamide?
The canonical SMILES for (3,5-dichloro-2-methoxyphenyl)-methylcyanamide is COc1c(Cl)cc(Cl)cc1N(C)C#N.
What is the InChIKey of (3,5-dichloro-2-methoxyphenyl)-methylcyanamide?
The InChIKey is QHHNOSKHOKLOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O/c1-13(5-12)8-4-6(10)3-7(11)9(8)14-2/h3-4H,1-2H3.
What are the key properties of (3,5-dichloro-2-methoxyphenyl)-methylcyanamide?
(3,5-dichloro-2-methoxyphenyl)-methylcyanamide has a molecular weight of 231.08 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-methoxyphenyl)-methylcyanamide is sourced from PubChem (CID 117043212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).