1-(4-bromo-2-fluorophenyl)-3-(4-methylpentan-2-yl)urea

C13H18BrFN2O — CID 154969132

IUPAC1-(4-bromo-2-fluorophenyl)-3-(4-methylpentan-2-yl)urea
SMILESCC(C)CC(C)NC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H18BrFN2O/c1-8(2)6-9(3)16-13(18)17-12-5-4-10(14)7-11(12)15/h4-5,7-9H,6H2,1-3H3,(H2,16,17,18)
InChIKeyJGHPDXGBJXZATP-UHFFFAOYSA-N
MW317.20 g/mol
LogP4.14
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-3-(4-methylpentan-2-yl)urea

1-(4-bromo-2-fluorophenyl)-3-(4-methylpentan-2-yl)urea (PubChem CID 154969132) has the molecular formula C13H18BrFN2O and a molecular weight of 317.20 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-(4-methylpentan-2-yl)urea.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-(4-methylpentan-2-yl)urea
PubChem CID154969132
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-(4-methylpentan-2-yl)urea
SMILESCC(C)CC(C)NC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H18BrFN2O/c1-8(2)6-9(3)16-13(18)17-12-5-4-10(14)7-11(12)15/h4-5,7-9H,6H2,1-3H3,(H2,16,17,18)
InChIKeyJGHPDXGBJXZATP-UHFFFAOYSA-N
XLogP4.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-bromo-2-fluorophenyl)carbamoylamino]-4-methylpentanoic acid
CID 61182636
(2S)-2-[(4-bromo-2-fluorophenyl)carbamoylamino]-N-[(2S)-4,4-dimethylpentan-2-yl]-4-methylpentanamide
CID 154487219
1-(4-bromo-2-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110890470
N-(4-bromo-2-fluorophenyl)-2-methylbutanamide
CID 4635921
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082
1-(4-aminopentan-2-yl)-3-(2,4-difluorophenyl)urea
CID 113376862
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230
(2S)-2-[(4-bromo-2-fluorophenyl)carbamoylamino]pentanamide
CID 71569839
5-[(4-bromo-2-fluorophenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62941863
3-(4-bromo-2-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114897183
2-bromo-N-(4-bromo-2-fluorophenyl)butanamide
CID 62856454
(2S,3S)-2-[(4-bromo-2-fluorophenyl)carbamoylamino]-3-methyl-N-(2-oxopropyl)pentanamide
CID 71526287

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(4-methylpentan-2-yl)urea?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(4-methylpentan-2-yl)urea (CID 154969132) is 1-(4-bromo-2-fluorophenyl)-3-(4-methylpentan-2-yl)urea.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-(4-methylpentan-2-yl)urea?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-(4-methylpentan-2-yl)urea is CC(C)CC(C)NC(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-(4-methylpentan-2-yl)urea?
The InChIKey is JGHPDXGBJXZATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O/c1-8(2)6-9(3)16-13(18)17-12-5-4-10(14)7-11(12)15/h4-5,7-9H,6H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-(4-methylpentan-2-yl)urea?
1-(4-bromo-2-fluorophenyl)-3-(4-methylpentan-2-yl)urea has a molecular weight of 317.20 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-(4-methylpentan-2-yl)urea is sourced from PubChem (CID 154969132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).