1-[(2R)-butan-2-yl]-3-(2,5-dibromophenyl)urea

C11H14Br2N2O — CID 51945845

IUPAC1-[(2R)-butan-2-yl]-3-(2,5-dibromophenyl)urea
SMILESCC[C@@H](C)NC(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C11H14Br2N2O/c1-3-7(2)14-11(16)15-10-6-8(12)4-5-9(10)13/h4-7H,3H2,1-2H3,(H2,14,15,16)/t7-/m1/s1
InChIKeyJNCVDPVPYPOKHE-SSDOTTSWSA-N
MW350.05 g/mol
LogP4.13
Rot. Bonds3

About 1-[(2R)-butan-2-yl]-3-(2,5-dibromophenyl)urea

1-[(2R)-butan-2-yl]-3-(2,5-dibromophenyl)urea (PubChem CID 51945845) has the molecular formula C11H14Br2N2O and a molecular weight of 350.05 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3-(2,5-dibromophenyl)urea.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-3-(2,5-dibromophenyl)urea
PubChem CID51945845
Molecular FormulaC11H14Br2N2O
Molecular Weight350.05 g/mol
Exact Mass347.95
IUPAC Name1-[(2R)-butan-2-yl]-3-(2,5-dibromophenyl)urea
SMILESCC[C@@H](C)NC(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C11H14Br2N2O/c1-3-7(2)14-11(16)15-10-6-8(12)4-5-9(10)13/h4-7H,3H2,1-2H3,(H2,14,15,16)/t7-/m1/s1
InChIKeyJNCVDPVPYPOKHE-SSDOTTSWSA-N
XLogP4.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.05
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-(butan-2-ylcarbamoylamino)benzoic acid
CID 107813901
2-bromo-N-(2,5-dibromophenyl)butanamide
CID 62856561
(2S,3R)-2-[(2,5-dibromophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 104966010
(2S)-2-[(2,5-dibromophenyl)carbamoylamino]pentanoic acid
CID 107566463
2-amino-N-(2,5-dibromophenyl)-3-methylbutanamide
CID 43714180
2-[[(2,5-dibromophenyl)carbamoylamino]methyl]butanoic acid
CID 65223594
4-bromo-3-(pentan-3-ylcarbamoylamino)benzoic acid
CID 107813902
2-[(2,5-dibromophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 61468055
3-[(5-bromo-2-chlorophenyl)carbamoylamino]butanoic acid
CID 62907932
N-(2,5-dibromophenyl)-2-(propan-2-ylamino)acetamide
CID 60842016
(2S)-2-[(2-bromo-5-methylphenyl)carbamoylamino]butanoic acid
CID 82766171
1-(2-bromo-5-methylphenyl)-3-propan-2-ylurea
CID 82706454

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-3-(2,5-dibromophenyl)urea?
The IUPAC name of 1-[(2R)-butan-2-yl]-3-(2,5-dibromophenyl)urea (CID 51945845) is 1-[(2R)-butan-2-yl]-3-(2,5-dibromophenyl)urea.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-3-(2,5-dibromophenyl)urea?
The canonical SMILES for 1-[(2R)-butan-2-yl]-3-(2,5-dibromophenyl)urea is CC[C@@H](C)NC(=O)Nc1cc(Br)ccc1Br.
What is the InChIKey of 1-[(2R)-butan-2-yl]-3-(2,5-dibromophenyl)urea?
The InChIKey is JNCVDPVPYPOKHE-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14Br2N2O/c1-3-7(2)14-11(16)15-10-6-8(12)4-5-9(10)13/h4-7H,3H2,1-2H3,(H2,14,15,16)/t7-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-3-(2,5-dibromophenyl)urea?
1-[(2R)-butan-2-yl]-3-(2,5-dibromophenyl)urea has a molecular weight of 350.05 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-3-(2,5-dibromophenyl)urea is sourced from PubChem (CID 51945845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).