chloro-(3-methoxyphenyl)cyanamide

C8H7ClN2O — CID 154075704

IUPACchloro-(3-methoxyphenyl)cyanamide
SMILESCOc1cccc(N(Cl)C#N)c1
InChIInChI=1S/C8H7ClN2O/c1-12-8-4-2-3-7(5-8)11(9)6-10/h2-5H,1H3
InChIKeyGIUFSYYEELMXKP-UHFFFAOYSA-N
MW182.61 g/mol
LogP2.14
Rot. Bonds2

About chloro-(3-methoxyphenyl)cyanamide

chloro-(3-methoxyphenyl)cyanamide (PubChem CID 154075704) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is chloro-(3-methoxyphenyl)cyanamide.

Molecular Properties

Compound Namechloro-(3-methoxyphenyl)cyanamide
PubChem CID154075704
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Namechloro-(3-methoxyphenyl)cyanamide
SMILESCOc1cccc(N(Cl)C#N)c1
InChIInChI=1S/C8H7ClN2O/c1-12-8-4-2-3-7(5-8)11(9)6-10/h2-5H,1H3
InChIKeyGIUFSYYEELMXKP-UHFFFAOYSA-N
XLogP2.14
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 52.14
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'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N,N-disilylaniline
CID 149149494
3-[N-(2-cyanoethyl)-3-methoxyanilino]propanenitrile
CID 4243106
1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292
3-(N-ethyl-3-methoxyanilino)propanenitrile
CID 53425340
4-(3-methoxy-N-methylanilino)pyridine-2-carbonitrile
CID 62935538
3,5-difluoro-4-(3-methoxy-N-methylanilino)benzonitrile
CID 81283190
N-(3-methoxyphenyl)-N,3-dimethylaniline
CID 57317971
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
3-(3-methoxyphenoxy)-N,N-dimethylaniline
CID 138490404
3-methoxy-N-[4-[2-[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]ethynyl]phenyl]-N-(3-methoxyphenyl)aniline
CID 18996817
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878

Frequently Asked Questions

What is the IUPAC name of chloro-(3-methoxyphenyl)cyanamide?
The IUPAC name of chloro-(3-methoxyphenyl)cyanamide (CID 154075704) is chloro-(3-methoxyphenyl)cyanamide.
What is the SMILES notation for chloro-(3-methoxyphenyl)cyanamide?
The canonical SMILES for chloro-(3-methoxyphenyl)cyanamide is COc1cccc(N(Cl)C#N)c1.
What is the InChIKey of chloro-(3-methoxyphenyl)cyanamide?
The InChIKey is GIUFSYYEELMXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c1-12-8-4-2-3-7(5-8)11(9)6-10/h2-5H,1H3.
What are the key properties of chloro-(3-methoxyphenyl)cyanamide?
chloro-(3-methoxyphenyl)cyanamide has a molecular weight of 182.61 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(3-methoxyphenyl)cyanamide is sourced from PubChem (CID 154075704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).