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

C15H15BrN2O2 — CID 108870224

IUPAC1-(3-bromophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(CO)cc1)Nc1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O2/c16-13-2-1-3-14(8-13)18-15(20)17-9-11-4-6-12(10-19)7-5-11/h1-8,19H,9-10H2,(H2,17,18,20)
InChIKeyUGJNJAGICJVDTL-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.26
Rot. Bonds4

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

1-(3-bromophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea (PubChem CID 108870224) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea
PubChem CID108870224
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name1-(3-bromophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(CO)cc1)Nc1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O2/c16-13-2-1-3-14(8-13)18-15(20)17-9-11-4-6-12(10-19)7-5-11/h1-8,19H,9-10H2,(H2,17,18,20)
InChIKeyUGJNJAGICJVDTL-UHFFFAOYSA-N
XLogP3.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(aminomethyl)phenyl]methyl]-3-(3-bromophenyl)urea
CID 108870136
1-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)urea
CID 60969136
N-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898790
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
1-(3-bromophenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 47031800
1-(4-aminophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea
CID 108897076
methyl 2-[(3-bromophenyl)carbamoylamino]acetate
CID 108870222
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide
CID 47031802
1-(3-bromophenyl)-3-(3-oxobutyl)urea
CID 108895170
2-N-benzyl-1-N-(3-bromophenyl)cyclopropane-1,2-dicarboxamide
CID 109135103
N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108884075

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-(3-bromophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea (CID 108870224) is 1-(3-bromophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(3-bromophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea is O=C(NCc1ccc(CO)cc1)Nc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea?
The InChIKey is UGJNJAGICJVDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-13-2-1-3-14(8-13)18-15(20)17-9-11-4-6-12(10-19)7-5-11/h1-8,19H,9-10H2,(H2,17,18,20).
What are the key properties of 1-(3-bromophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea?
1-(3-bromophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea has a molecular weight of 335.20 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 108870224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).