1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea

C14H12Cl2N2O — CID 727865

IUPAC1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
SMILESO=C(NCc1ccccc1Cl)Nc1cccc(Cl)c1
InChIInChI=1S/C14H12Cl2N2O/c15-11-5-3-6-12(8-11)18-14(19)17-9-10-4-1-2-7-13(10)16/h1-8H,9H2,(H2,17,18,19)
InChIKeyAWFYEFHABXTDMN-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.32
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea

1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea (PubChem CID 727865) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
PubChem CID727865
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
SMILESO=C(NCc1ccccc1Cl)Nc1cccc(Cl)c1
InChIInChI=1S/C14H12Cl2N2O/c15-11-5-3-6-12(8-11)18-14(19)17-9-10-4-1-2-7-13(10)16/h1-8H,9H2,(H2,17,18,19)
InChIKeyAWFYEFHABXTDMN-UHFFFAOYSA-N
XLogP4.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 47455296
3-[(2-chlorophenyl)methylcarbamoylamino]benzoic acid
CID 61192540
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]thiourea
CID 5017956
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
N-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962718
1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea
CID 47192222
1-[(5-amino-2-hydroxyphenyl)methyl]-3-(3-chlorophenyl)urea
CID 43551130
1-(3-chlorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]urea
CID 47829113
1-[(2-chlorophenyl)methyl]-3-(4-chloro-2-pyridinyl)urea
CID 108897788
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
1-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methyl]urea
CID 35524616
N-(3-chlorophenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281944

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea (CID 727865) is 1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea is O=C(NCc1ccccc1Cl)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea?
The InChIKey is AWFYEFHABXTDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c15-11-5-3-6-12(8-11)18-14(19)17-9-10-4-1-2-7-13(10)16/h1-8H,9H2,(H2,17,18,19).
What are the key properties of 1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea?
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea has a molecular weight of 295.17 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea is sourced from PubChem (CID 727865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).