1-(3-bromophenyl)-3-(2-chloroethyl)urea

C9H10BrClN2O — CID 3089070

IUPAC1-(3-bromophenyl)-3-(2-chloroethyl)urea
SMILESO=C(NCCCl)Nc1cccc(Br)c1
InChIInChI=1S/C9H10BrClN2O/c10-7-2-1-3-8(6-7)13-9(14)12-5-4-11/h1-3,6H,4-5H2,(H2,12,13,14)
InChIKeyQEEZRSXYYLAZRZ-UHFFFAOYSA-N
MW277.55 g/mol
LogP2.81
Rot. Bonds3

About 1-(3-bromophenyl)-3-(2-chloroethyl)urea

1-(3-bromophenyl)-3-(2-chloroethyl)urea (PubChem CID 3089070) has the molecular formula C9H10BrClN2O and a molecular weight of 277.55 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(2-chloroethyl)urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(2-chloroethyl)urea
PubChem CID3089070
Molecular FormulaC9H10BrClN2O
Molecular Weight277.55 g/mol
Exact Mass275.97
IUPAC Name1-(3-bromophenyl)-3-(2-chloroethyl)urea
SMILESO=C(NCCCl)Nc1cccc(Br)c1
InChIInChI=1S/C9H10BrClN2O/c10-7-2-1-3-8(6-7)13-9(14)12-5-4-11/h1-3,6H,4-5H2,(H2,12,13,14)
InChIKeyQEEZRSXYYLAZRZ-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

Metobromuron
CID 18290
N-(4-Bromophenyl)-N'-methylurea
CID 152311
3-(4-Bromophenyl)-1,1-dimethylurea
CID 18870
3-(4-Bromophenyl)-1,1-diethylurea
CID 735609
1-((4-Bromophenyl)carbamoyl)piperidine
CID 694497
3-Bromophenylurea
CID 18129
N-(4-bromophenyl)azepane-1-carboxamide
CID 2985467
1-(4-Bromophenyl)-3-cyclohexylurea
CID 5060293
Urea, 1-(2-bromoethyl)-3-phenyl-
CID 96556
1-(4-Bromophenyl)-3-ethylurea
CID 4046615
N-(4-bromophenyl)-N'-(1,2,2-trimethylpropyl)urea
CID 3791279
1-(4-Bromo-2-chlorophenyl)-3-propan-2-ylurea
CID 6467204

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(2-chloroethyl)urea?
The IUPAC name of 1-(3-bromophenyl)-3-(2-chloroethyl)urea (CID 3089070) is 1-(3-bromophenyl)-3-(2-chloroethyl)urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-(2-chloroethyl)urea?
The canonical SMILES for 1-(3-bromophenyl)-3-(2-chloroethyl)urea is O=C(NCCCl)Nc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(2-chloroethyl)urea?
The InChIKey is QEEZRSXYYLAZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O/c10-7-2-1-3-8(6-7)13-9(14)12-5-4-11/h1-3,6H,4-5H2,(H2,12,13,14).
What are the key properties of 1-(3-bromophenyl)-3-(2-chloroethyl)urea?
1-(3-bromophenyl)-3-(2-chloroethyl)urea has a molecular weight of 277.55 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(2-chloroethyl)urea is sourced from PubChem (CID 3089070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).