1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea

C17H19BrN2O — CID 113213313

IUPAC1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea
SMILESCC(C)(CNC(=O)Nc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-17(2,13-7-4-3-5-8-13)12-19-16(21)20-15-10-6-9-14(18)11-15/h3-11H,12H2,1-2H3,(H2,19,20,21)
InChIKeyNIGRCWFJZZPPTQ-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.55
Rot. Bonds4

About 1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea

1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea (PubChem CID 113213313) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea
PubChem CID113213313
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea
SMILESCC(C)(CNC(=O)Nc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-17(2,13-7-4-3-5-8-13)12-19-16(21)20-15-10-6-9-14(18)11-15/h3-11H,12H2,1-2H3,(H2,19,20,21)
InChIKeyNIGRCWFJZZPPTQ-UHFFFAOYSA-N
XLogP4.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-amino-3-[2-(3-bromophenyl)-2-methylpropyl]urea
CID 115193202
1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213276
1-(2-methyl-2-phenylpropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 86988430
2-(3-bromophenyl)-N-(2-methyl-2-phenylpropyl)acetamide
CID 113090289
methyl 2-[(3-bromophenyl)carbamoylamino]acetate
CID 108870222
1-(1,3-benzodioxol-5-yl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213317
1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea
CID 113213273
2-[[(3-bromophenyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107473884
1-methyl-3-(2-methyl-2-phenylpropyl)urea
CID 47166668
1-[2-(4-methoxyphenyl)-2-methylpropyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 113213647
1-(3-bromophenyl)-3-(3-oxobutyl)urea
CID 108895170
2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide
CID 47031802

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea?
The IUPAC name of 1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea (CID 113213313) is 1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea?
The canonical SMILES for 1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea is CC(C)(CNC(=O)Nc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea?
The InChIKey is NIGRCWFJZZPPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-17(2,13-7-4-3-5-8-13)12-19-16(21)20-15-10-6-9-14(18)11-15/h3-11H,12H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea?
1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea has a molecular weight of 347.26 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea is sourced from PubChem (CID 113213313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).