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

C9H10BrClN2O — CID 60981700

IUPAC1-(5-bromo-2-chlorophenyl)-3-ethylurea
SMILESCCNC(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C9H10BrClN2O/c1-2-12-9(14)13-8-5-6(10)3-4-7(8)11/h3-5H,2H2,1H3,(H2,12,13,14)
InChIKeyQIEPIEPWILFRAZ-UHFFFAOYSA-N
MW277.55 g/mol
LogP3.24
Rot. Bonds2

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

1-(5-bromo-2-chlorophenyl)-3-ethylurea (PubChem CID 60981700) has the molecular formula C9H10BrClN2O and a molecular weight of 277.55 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-3-ethylurea.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-3-ethylurea
PubChem CID60981700
Molecular FormulaC9H10BrClN2O
Molecular Weight277.55 g/mol
Exact Mass275.97
IUPAC Name1-(5-bromo-2-chlorophenyl)-3-ethylurea
SMILESCCNC(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C9H10BrClN2O/c1-2-12-9(14)13-8-5-6(10)3-4-7(8)11/h3-5H,2H2,1H3,(H2,12,13,14)
InChIKeyQIEPIEPWILFRAZ-UHFFFAOYSA-N
XLogP3.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-chlorophenyl)-3-propylurea
CID 55027920
1-(2,4-dibromophenyl)-3-ethylurea
CID 102364568
(2S)-2-[(5-bromo-2-chlorophenyl)carbamoylamino]hexanoic acid
CID 107146033
1-(2-chloro-4-methylphenyl)-3-ethylurea
CID 21161481
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-ethylurea
CID 113225657
3-[(5-bromo-2-chlorophenyl)carbamoylamino]butanoic acid
CID 62907932
2-[(5-bromo-2-chlorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81081569
methyl 5-bromo-2-(ethylcarbamoylamino)benzoate
CID 799287
N-(5-bromo-2-chlorophenyl)-2-carbamothioylbutanamide
CID 55132834
1-(5-bromo-2-chlorophenyl)-3-propylthiourea
CID 115606348
N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide
CID 62908403
(2S)-2-[(5-bromo-2-chlorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 62908789

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-3-ethylurea?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-3-ethylurea (CID 60981700) is 1-(5-bromo-2-chlorophenyl)-3-ethylurea.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-3-ethylurea?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-3-ethylurea is CCNC(=O)Nc1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-3-ethylurea?
The InChIKey is QIEPIEPWILFRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O/c1-2-12-9(14)13-8-5-6(10)3-4-7(8)11/h3-5H,2H2,1H3,(H2,12,13,14).
What are the key properties of 1-(5-bromo-2-chlorophenyl)-3-ethylurea?
1-(5-bromo-2-chlorophenyl)-3-ethylurea has a molecular weight of 277.55 g/mol, XLogP of 3.24, 2 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-ethylurea is sourced from PubChem (CID 60981700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).