(4-amino-3-bromophenyl)-(3-bromo-5-chlorophenyl)methanone

C13H8Br2ClNO — CID 107957051

IUPAC(4-amino-3-bromophenyl)-(3-bromo-5-chlorophenyl)methanone
SMILESNc1ccc(C(=O)c2cc(Cl)cc(Br)c2)cc1Br
InChIInChI=1S/C13H8Br2ClNO/c14-9-3-8(4-10(16)6-9)13(18)7-1-2-12(17)11(15)5-7/h1-6H,17H2
InChIKeyMBHXTCKJLSRDPM-UHFFFAOYSA-N
MW389.47 g/mol
LogP4.68
Rot. Bonds2

About (4-amino-3-bromophenyl)-(3-bromo-5-chlorophenyl)methanone

(4-amino-3-bromophenyl)-(3-bromo-5-chlorophenyl)methanone (PubChem CID 107957051) has the molecular formula C13H8Br2ClNO and a molecular weight of 389.47 g/mol. Its IUPAC name is (4-amino-3-bromophenyl)-(3-bromo-5-chlorophenyl)methanone.

Molecular Properties

Compound Name(4-amino-3-bromophenyl)-(3-bromo-5-chlorophenyl)methanone
PubChem CID107957051
Molecular FormulaC13H8Br2ClNO
Molecular Weight389.47 g/mol
Exact Mass386.87
IUPAC Name(4-amino-3-bromophenyl)-(3-bromo-5-chlorophenyl)methanone
SMILESNc1ccc(C(=O)c2cc(Cl)cc(Br)c2)cc1Br
InChIInChI=1S/C13H8Br2ClNO/c14-9-3-8(4-10(16)6-9)13(18)7-1-2-12(17)11(15)5-7/h1-6H,17H2
InChIKeyMBHXTCKJLSRDPM-UHFFFAOYSA-N
XLogP4.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-bromophenyl)-(3-bromo-5-chlorophenyl)methanone?
The IUPAC name of (4-amino-3-bromophenyl)-(3-bromo-5-chlorophenyl)methanone (CID 107957051) is (4-amino-3-bromophenyl)-(3-bromo-5-chlorophenyl)methanone.
What is the SMILES notation for (4-amino-3-bromophenyl)-(3-bromo-5-chlorophenyl)methanone?
The canonical SMILES for (4-amino-3-bromophenyl)-(3-bromo-5-chlorophenyl)methanone is Nc1ccc(C(=O)c2cc(Cl)cc(Br)c2)cc1Br.
What is the InChIKey of (4-amino-3-bromophenyl)-(3-bromo-5-chlorophenyl)methanone?
The InChIKey is MBHXTCKJLSRDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2ClNO/c14-9-3-8(4-10(16)6-9)13(18)7-1-2-12(17)11(15)5-7/h1-6H,17H2.
What are the key properties of (4-amino-3-bromophenyl)-(3-bromo-5-chlorophenyl)methanone?
(4-amino-3-bromophenyl)-(3-bromo-5-chlorophenyl)methanone has a molecular weight of 389.47 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-bromophenyl)-(3-bromo-5-chlorophenyl)methanone is sourced from PubChem (CID 107957051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).