[(2-chlorophenyl)-(4-chlorophenyl)methyl]urea

C14H12Cl2N2O — CID 2852174

IUPAC[(2-chlorophenyl)-(4-chlorophenyl)methyl]urea
SMILESNC(=O)NC(c1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C14H12Cl2N2O/c15-10-7-5-9(6-8-10)13(18-14(17)19)11-3-1-2-4-12(11)16/h1-8,13H,(H3,17,18,19)
InChIKeyGICGNVGABFUVBH-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.75
Rot. Bonds3

About [(2-chlorophenyl)-(4-chlorophenyl)methyl]urea

[(2-chlorophenyl)-(4-chlorophenyl)methyl]urea (PubChem CID 2852174) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is [(2-chlorophenyl)-(4-chlorophenyl)methyl]urea.

Molecular Properties

Compound Name[(2-chlorophenyl)-(4-chlorophenyl)methyl]urea
PubChem CID2852174
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name[(2-chlorophenyl)-(4-chlorophenyl)methyl]urea
SMILESNC(=O)NC(c1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C14H12Cl2N2O/c15-10-7-5-9(6-8-10)13(18-14(17)19)11-3-1-2-4-12(11)16/h1-8,13H,(H3,17,18,19)
InChIKeyGICGNVGABFUVBH-UHFFFAOYSA-N
XLogP3.75
TPSA55.12 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 ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-Bis[(2-chlorophenyl)methyl]urea
CID 623497
N-(Diphenylmethyl)urea
CID 95253
Cumyluron
CID 11709249
N-(2,4-dichlorobenzyl)-3-methyl-3-phenylpiperidine-1-carboxamide
CID 42647178
4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-cyclohexylpiperazine-1-carboxamide
CID 44176908
N-Cyclohexyl-4-[(2,4-dichlorophenyl)(p-tolyl)methyl]piperazine-1-carboxamide
CID 44177373
N-cyclohexyl-4-[(S)-(2,4-dichlorophenyl)-(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 56930624
1-(4-chlorobenzyl)tetrahydropyrimidin-2(1H)-one
CID 5076487
N,N'-Di(p-chlorobenzyl)urea
CID 253257
N-(4-chlorobenzyl)-N'-cyclohexylurea
CID 306771
[(2-Chlorophenyl)methyl]urea
CID 1484506
1-[(4-Chlorophenyl)methyl]-1-cyclopentylurea
CID 67797498

Frequently Asked Questions

What is the IUPAC name of [(2-chlorophenyl)-(4-chlorophenyl)methyl]urea?
The IUPAC name of [(2-chlorophenyl)-(4-chlorophenyl)methyl]urea (CID 2852174) is [(2-chlorophenyl)-(4-chlorophenyl)methyl]urea.
What is the SMILES notation for [(2-chlorophenyl)-(4-chlorophenyl)methyl]urea?
The canonical SMILES for [(2-chlorophenyl)-(4-chlorophenyl)methyl]urea is NC(=O)NC(c1ccc(Cl)cc1)c1ccccc1Cl.
What is the InChIKey of [(2-chlorophenyl)-(4-chlorophenyl)methyl]urea?
The InChIKey is GICGNVGABFUVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c15-10-7-5-9(6-8-10)13(18-14(17)19)11-3-1-2-4-12(11)16/h1-8,13H,(H3,17,18,19).
What are the key properties of [(2-chlorophenyl)-(4-chlorophenyl)methyl]urea?
[(2-chlorophenyl)-(4-chlorophenyl)methyl]urea has a molecular weight of 295.17 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chlorophenyl)-(4-chlorophenyl)methyl]urea is sourced from PubChem (CID 2852174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).