1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea

C15H14Cl2N2O2 — CID 63312064

IUPAC1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
SMILESO=C(NCc1cccc(CO)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c16-13-5-4-12(7-14(13)17)19-15(21)18-8-10-2-1-3-11(6-10)9-20/h1-7,20H,8-9H2,(H2,18,19,21)
InChIKeyWCYGISSATANVPK-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.81
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea

1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea (PubChem CID 63312064) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
PubChem CID63312064
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
SMILESO=C(NCc1cccc(CO)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c16-13-5-4-12(7-14(13)17)19-15(21)18-8-10-2-1-3-11(6-10)9-20/h1-7,20H,8-9H2,(H2,18,19,21)
InChIKeyWCYGISSATANVPK-UHFFFAOYSA-N
XLogP3.81
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 108866438
1-(4-chloro-3-methoxyphenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 99841208
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea
CID 63254565
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
1-N-benzyl-1-N'-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108974881
1-(3,4-dichlorophenyl)-3-[[5-(furan-2-yl)-3-pyridinyl]methyl]urea
CID 121197225
1-(3,4-dichlorophenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 60590463
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
2-(2,4-dichlorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63311270
1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109054182

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea (CID 63312064) is 1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea is O=C(NCc1cccc(CO)c1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea?
The InChIKey is WCYGISSATANVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c16-13-5-4-12(7-14(13)17)19-15(21)18-8-10-2-1-3-11(6-10)9-20/h1-7,20H,8-9H2,(H2,18,19,21).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea?
1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea has a molecular weight of 325.20 g/mol, XLogP of 3.81, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 63312064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).