3-(2-bromophenyl)-1-methyl-1-(oxan-4-ylmethyl)urea

C14H19BrN2O2 — CID 91905253

IUPAC3-(2-bromophenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
SMILESCN(CC1CCOCC1)C(=O)Nc1ccccc1Br
InChIInChI=1S/C14H19BrN2O2/c1-17(10-11-6-8-19-9-7-11)14(18)16-13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3,(H,16,18)
InChIKeyKYFYVKCMGAOVLG-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.34
Rot. Bonds3

About 3-(2-bromophenyl)-1-methyl-1-(oxan-4-ylmethyl)urea

3-(2-bromophenyl)-1-methyl-1-(oxan-4-ylmethyl)urea (PubChem CID 91905253) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1-methyl-1-(oxan-4-ylmethyl)urea.

Molecular Properties

Compound Name3-(2-bromophenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
PubChem CID91905253
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name3-(2-bromophenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
SMILESCN(CC1CCOCC1)C(=O)Nc1ccccc1Br
InChIInChI=1S/C14H19BrN2O2/c1-17(10-11-6-8-19-9-7-11)14(18)16-13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3,(H,16,18)
InChIKeyKYFYVKCMGAOVLG-UHFFFAOYSA-N
XLogP3.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91905258
1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea
CID 110875739
3-(3-chloro-2-methylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875829
3-[2-[cyclopentyl(methyl)amino]phenyl]-1-methyl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 97061195
3-(2-bromophenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859004
3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875844
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91914988
1-methyl-1-(oxan-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 91905230
2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 120783894
1-(2-bromophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanone
CID 63713643
3-(2,3-dimethylphenyl)-1-methyl-1-[2-(oxan-4-yl)ethyl]urea
CID 72849512
2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783893

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-1-methyl-1-(oxan-4-ylmethyl)urea?
The IUPAC name of 3-(2-bromophenyl)-1-methyl-1-(oxan-4-ylmethyl)urea (CID 91905253) is 3-(2-bromophenyl)-1-methyl-1-(oxan-4-ylmethyl)urea.
What is the SMILES notation for 3-(2-bromophenyl)-1-methyl-1-(oxan-4-ylmethyl)urea?
The canonical SMILES for 3-(2-bromophenyl)-1-methyl-1-(oxan-4-ylmethyl)urea is CN(CC1CCOCC1)C(=O)Nc1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-1-methyl-1-(oxan-4-ylmethyl)urea?
The InChIKey is KYFYVKCMGAOVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-17(10-11-6-8-19-9-7-11)14(18)16-13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3,(H,16,18).
What are the key properties of 3-(2-bromophenyl)-1-methyl-1-(oxan-4-ylmethyl)urea?
3-(2-bromophenyl)-1-methyl-1-(oxan-4-ylmethyl)urea has a molecular weight of 327.22 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-1-methyl-1-(oxan-4-ylmethyl)urea is sourced from PubChem (CID 91905253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).