1-(2-bromo-4-nitrophenyl)-3-(3-chlorophenyl)urea

C13H9BrClN3O3 — CID 19187569

IUPAC1-(2-bromo-4-nitrophenyl)-3-(3-chlorophenyl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C13H9BrClN3O3/c14-11-7-10(18(20)21)4-5-12(11)17-13(19)16-9-3-1-2-8(15)6-9/h1-7H,(H2,16,17,19)
InChIKeyGILHLBSNYWLVAE-UHFFFAOYSA-N
MW370.59 g/mol
LogP4.65
Rot. Bonds3

About 1-(2-bromo-4-nitrophenyl)-3-(3-chlorophenyl)urea

1-(2-bromo-4-nitrophenyl)-3-(3-chlorophenyl)urea (PubChem CID 19187569) has the molecular formula C13H9BrClN3O3 and a molecular weight of 370.59 g/mol. Its IUPAC name is 1-(2-bromo-4-nitrophenyl)-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-(2-bromo-4-nitrophenyl)-3-(3-chlorophenyl)urea
PubChem CID19187569
Molecular FormulaC13H9BrClN3O3
Molecular Weight370.59 g/mol
Exact Mass368.95
IUPAC Name1-(2-bromo-4-nitrophenyl)-3-(3-chlorophenyl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C13H9BrClN3O3/c14-11-7-10(18(20)21)4-5-12(11)17-13(19)16-9-3-1-2-8(15)6-9/h1-7H,(H2,16,17,19)
InChIKeyGILHLBSNYWLVAE-UHFFFAOYSA-N
XLogP4.65
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.59
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-chlorophenyl)carbamoylamino]-5-nitrobenzoic acid
CID 16778187
1-(2-bromo-4-methylphenyl)-3-(3-chlorophenyl)urea
CID 4549529
1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)phenyl]urea
CID 16760870
2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide
CID 107988092
2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide
CID 81027167
1-(2-bromo-4-chlorophenyl)-3-(3-methoxyphenyl)urea
CID 81003505
1-(3-chlorophenyl)-3-[(3-nitrophenyl)methylideneamino]urea
CID 19168555
2-bromo-N-[(2,4-dichlorophenyl)methyl]-4-nitroaniline
CID 43742260
(2S)-2-[(2-bromo-4-nitrophenyl)carbamoylamino]propanoic acid
CID 114003684
N-(2-bromo-4-nitrophenyl)-4-chloropyridine-3-carboxamide
CID 81226714
1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]urea
CID 4078223
1-(4-bromo-3-fluorophenyl)-3-(3-chlorophenyl)urea
CID 65431813

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-nitrophenyl)-3-(3-chlorophenyl)urea?
The IUPAC name of 1-(2-bromo-4-nitrophenyl)-3-(3-chlorophenyl)urea (CID 19187569) is 1-(2-bromo-4-nitrophenyl)-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-(2-bromo-4-nitrophenyl)-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-(2-bromo-4-nitrophenyl)-3-(3-chlorophenyl)urea is O=C(Nc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1Br.
What is the InChIKey of 1-(2-bromo-4-nitrophenyl)-3-(3-chlorophenyl)urea?
The InChIKey is GILHLBSNYWLVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3O3/c14-11-7-10(18(20)21)4-5-12(11)17-13(19)16-9-3-1-2-8(15)6-9/h1-7H,(H2,16,17,19).
What are the key properties of 1-(2-bromo-4-nitrophenyl)-3-(3-chlorophenyl)urea?
1-(2-bromo-4-nitrophenyl)-3-(3-chlorophenyl)urea has a molecular weight of 370.59 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-nitrophenyl)-3-(3-chlorophenyl)urea is sourced from PubChem (CID 19187569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).