[cyano-(2,4-dichlorophenyl)methyl]urea

C9H7Cl2N3O — CID 110192031

IUPAC[cyano-(2,4-dichlorophenyl)methyl]urea
SMILESN#CC(NC(N)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H7Cl2N3O/c10-5-1-2-6(7(11)3-5)8(4-12)14-9(13)15/h1-3,8H,(H3,13,14,15)
InChIKeyUBXSSXCZBDKGBA-UHFFFAOYSA-N
MW244.08 g/mol
LogP2.23
Rot. Bonds2

About [cyano-(2,4-dichlorophenyl)methyl]urea

[cyano-(2,4-dichlorophenyl)methyl]urea (PubChem CID 110192031) has the molecular formula C9H7Cl2N3O and a molecular weight of 244.08 g/mol. Its IUPAC name is [cyano-(2,4-dichlorophenyl)methyl]urea.

Molecular Properties

Compound Name[cyano-(2,4-dichlorophenyl)methyl]urea
PubChem CID110192031
Molecular FormulaC9H7Cl2N3O
Molecular Weight244.08 g/mol
Exact Mass243.00
IUPAC Name[cyano-(2,4-dichlorophenyl)methyl]urea
SMILESN#CC(NC(N)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H7Cl2N3O/c10-5-1-2-6(7(11)3-5)8(4-12)14-9(13)15/h1-3,8H,(H3,13,14,15)
InChIKeyUBXSSXCZBDKGBA-UHFFFAOYSA-N
XLogP2.23
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyano-(2,4-dichlorophenyl)methyl]acetamide
CID 83543201
2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile
CID 43115042
(3R)-3-cyano-3-(2,4-dichlorophenyl)propanoic acid
CID 92982599
2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetonitrile
CID 43151713
2-(2,4-dichlorophenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886457
2-(2,4-dichlorophenyl)-2-(3-methylbutylamino)acetonitrile
CID 82020101
2-(butylamino)-2-(2,4-dichlorophenyl)acetonitrile
CID 82020095
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 26602537
2-(2,4-dichlorophenyl)-5-methyl-3-oxohexanenitrile
CID 13374432
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
2-(2,4-dichlorophenyl)-3-(2,3-difluorophenyl)-3-oxopropanenitrile
CID 62649588
N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 43163867

Frequently Asked Questions

What is the IUPAC name of [cyano-(2,4-dichlorophenyl)methyl]urea?
The IUPAC name of [cyano-(2,4-dichlorophenyl)methyl]urea (CID 110192031) is [cyano-(2,4-dichlorophenyl)methyl]urea.
What is the SMILES notation for [cyano-(2,4-dichlorophenyl)methyl]urea?
The canonical SMILES for [cyano-(2,4-dichlorophenyl)methyl]urea is N#CC(NC(N)=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of [cyano-(2,4-dichlorophenyl)methyl]urea?
The InChIKey is UBXSSXCZBDKGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O/c10-5-1-2-6(7(11)3-5)8(4-12)14-9(13)15/h1-3,8H,(H3,13,14,15).
What are the key properties of [cyano-(2,4-dichlorophenyl)methyl]urea?
[cyano-(2,4-dichlorophenyl)methyl]urea has a molecular weight of 244.08 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyano-(2,4-dichlorophenyl)methyl]urea is sourced from PubChem (CID 110192031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).