1-(5-bromo-2-chlorophenyl)-3-propylurea

C10H12BrClN2O — CID 55027920

IUPAC1-(5-bromo-2-chlorophenyl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C10H12BrClN2O/c1-2-5-13-10(15)14-9-6-7(11)3-4-8(9)12/h3-4,6H,2,5H2,1H3,(H2,13,14,15)
InChIKeyYREIHXSVJANEBV-UHFFFAOYSA-N
MW291.58 g/mol
LogP3.63
Rot. Bonds3

About 1-(5-bromo-2-chlorophenyl)-3-propylurea

1-(5-bromo-2-chlorophenyl)-3-propylurea (PubChem CID 55027920) has the molecular formula C10H12BrClN2O and a molecular weight of 291.58 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-3-propylurea.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-3-propylurea
PubChem CID55027920
Molecular FormulaC10H12BrClN2O
Molecular Weight291.58 g/mol
Exact Mass289.98
IUPAC Name1-(5-bromo-2-chlorophenyl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C10H12BrClN2O/c1-2-5-13-10(15)14-9-6-7(11)3-4-8(9)12/h3-4,6H,2,5H2,1H3,(H2,13,14,15)
InChIKeyYREIHXSVJANEBV-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.58
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-chlorophenyl)-3-ethylurea
CID 60981700
1-(5-bromo-2-chlorophenyl)-3-propylthiourea
CID 115606348
1-(4-bromo-2-ethylphenyl)-3-propylurea
CID 6467713
1-(4-bromo-2,6-dichlorophenyl)-3-propylurea
CID 115571566
N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide
CID 62908403
(2S)-2-[(5-bromo-2-chlorophenyl)carbamoylamino]hexanoic acid
CID 107146033
3-[(5-bromo-2-chlorophenyl)carbamoylamino]butanoic acid
CID 62907932
4-bromo-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide
CID 170692567
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
4-chloro-3-(pentylcarbamoylamino)benzoic acid
CID 61181680
5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733019
1-[2-(3-bromophenyl)ethyl]-3-(2,5-dichlorophenyl)urea
CID 108886240

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-3-propylurea?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-3-propylurea (CID 55027920) is 1-(5-bromo-2-chlorophenyl)-3-propylurea.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-3-propylurea?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-3-propylurea is CCCNC(=O)Nc1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-3-propylurea?
The InChIKey is YREIHXSVJANEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O/c1-2-5-13-10(15)14-9-6-7(11)3-4-8(9)12/h3-4,6H,2,5H2,1H3,(H2,13,14,15).
What are the key properties of 1-(5-bromo-2-chlorophenyl)-3-propylurea?
1-(5-bromo-2-chlorophenyl)-3-propylurea has a molecular weight of 291.58 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-3-propylurea is sourced from PubChem (CID 55027920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).