1-(4-bromo-2-ethylphenyl)-3-propylurea

C12H17BrN2O — CID 6467713

IUPAC1-(4-bromo-2-ethylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1ccc(Br)cc1CC
InChIInChI=1S/C12H17BrN2O/c1-3-7-14-12(16)15-11-6-5-10(13)8-9(11)4-2/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15,16)
InChIKeyHOYSATJLTRZQQQ-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.54
Rot. Bonds4

About 1-(4-bromo-2-ethylphenyl)-3-propylurea

1-(4-bromo-2-ethylphenyl)-3-propylurea (PubChem CID 6467713) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 1-(4-bromo-2-ethylphenyl)-3-propylurea.

Molecular Properties

Compound Name1-(4-bromo-2-ethylphenyl)-3-propylurea
PubChem CID6467713
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name1-(4-bromo-2-ethylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1ccc(Br)cc1CC
InChIInChI=1S/C12H17BrN2O/c1-3-7-14-12(16)15-11-6-5-10(13)8-9(11)4-2/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15,16)
InChIKeyHOYSATJLTRZQQQ-UHFFFAOYSA-N
XLogP3.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-diethylphenyl)-3-propylurea
CID 23348909
1-(5-bromo-2-chlorophenyl)-3-propylurea
CID 55027920
1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea
CID 17217802
N-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide
CID 81291962
N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide
CID 81289356
1-(4-bromo-2-ethylphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 81288618
1-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-propylurea
CID 81287127
2-amino-N-(4-bromo-2-ethylphenyl)acetamide;hydrochloride
CID 119291314
3-(4-bromo-2-ethylphenyl)-1,1-diethylurea
CID 81003513
(2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride
CID 119291319
2-(aminomethyl)-N-(4-bromo-2-ethylphenyl)pentanamide
CID 81292193
N-(4-bromo-2-ethylphenyl)-2-cyanopentanamide
CID 81292095

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-ethylphenyl)-3-propylurea?
The IUPAC name of 1-(4-bromo-2-ethylphenyl)-3-propylurea (CID 6467713) is 1-(4-bromo-2-ethylphenyl)-3-propylurea.
What is the SMILES notation for 1-(4-bromo-2-ethylphenyl)-3-propylurea?
The canonical SMILES for 1-(4-bromo-2-ethylphenyl)-3-propylurea is CCCNC(=O)Nc1ccc(Br)cc1CC.
What is the InChIKey of 1-(4-bromo-2-ethylphenyl)-3-propylurea?
The InChIKey is HOYSATJLTRZQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-7-14-12(16)15-11-6-5-10(13)8-9(11)4-2/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(4-bromo-2-ethylphenyl)-3-propylurea?
1-(4-bromo-2-ethylphenyl)-3-propylurea has a molecular weight of 285.19 g/mol, XLogP of 3.54, 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-ethylphenyl)-3-propylurea is sourced from PubChem (CID 6467713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).