(3-amino-5-bromo-2-methylphenyl)-(4-bromo-2,5-dimethylphenyl)methanone

C16H15Br2NO — CID 107874173

IUPAC(3-amino-5-bromo-2-methylphenyl)-(4-bromo-2,5-dimethylphenyl)methanone
SMILESCc1cc(C(=O)c2cc(Br)cc(N)c2C)c(C)cc1Br
InChIInChI=1S/C16H15Br2NO/c1-8-5-14(18)9(2)4-12(8)16(20)13-6-11(17)7-15(19)10(13)3/h4-7H,19H2,1-3H3
InChIKeyOYUUETGDTDUACX-UHFFFAOYSA-N
MW397.11 g/mol
LogP4.95
Rot. Bonds2

About (3-amino-5-bromo-2-methylphenyl)-(4-bromo-2,5-dimethylphenyl)methanone

(3-amino-5-bromo-2-methylphenyl)-(4-bromo-2,5-dimethylphenyl)methanone (PubChem CID 107874173) has the molecular formula C16H15Br2NO and a molecular weight of 397.11 g/mol. Its IUPAC name is (3-amino-5-bromo-2-methylphenyl)-(4-bromo-2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-bromo-2-methylphenyl)-(4-bromo-2,5-dimethylphenyl)methanone
PubChem CID107874173
Molecular FormulaC16H15Br2NO
Molecular Weight397.11 g/mol
Exact Mass394.95
IUPAC Name(3-amino-5-bromo-2-methylphenyl)-(4-bromo-2,5-dimethylphenyl)methanone
SMILESCc1cc(C(=O)c2cc(Br)cc(N)c2C)c(C)cc1Br
InChIInChI=1S/C16H15Br2NO/c1-8-5-14(18)9(2)4-12(8)16(20)13-6-11(17)7-15(19)10(13)3/h4-7H,19H2,1-3H3
InChIKeyOYUUETGDTDUACX-UHFFFAOYSA-N
XLogP4.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.11
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-5-bromo-2-methylphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 107874180
(3-amino-5-bromo-2-methylphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 107874154
(3-amino-5-bromo-2-methylphenyl)-(2,5-diethylphenyl)methanone
CID 107874174
(4-bromo-2,5-dimethylphenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107960045
(3-amino-5-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107874132
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107874214
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone
CID 107874153
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-4-chlorothiophen-2-yl)methanone
CID 107874198
3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide
CID 107872932
3-amino-5-bromo-N-tert-butyl-2-methylbenzamide
CID 107871965
4-bromo-2,5-dimethylbenzoic acid;ethane
CID 143667305
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 107874228

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-bromo-2-methylphenyl)-(4-bromo-2,5-dimethylphenyl)methanone?
The IUPAC name of (3-amino-5-bromo-2-methylphenyl)-(4-bromo-2,5-dimethylphenyl)methanone (CID 107874173) is (3-amino-5-bromo-2-methylphenyl)-(4-bromo-2,5-dimethylphenyl)methanone.
What is the SMILES notation for (3-amino-5-bromo-2-methylphenyl)-(4-bromo-2,5-dimethylphenyl)methanone?
The canonical SMILES for (3-amino-5-bromo-2-methylphenyl)-(4-bromo-2,5-dimethylphenyl)methanone is Cc1cc(C(=O)c2cc(Br)cc(N)c2C)c(C)cc1Br.
What is the InChIKey of (3-amino-5-bromo-2-methylphenyl)-(4-bromo-2,5-dimethylphenyl)methanone?
The InChIKey is OYUUETGDTDUACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO/c1-8-5-14(18)9(2)4-12(8)16(20)13-6-11(17)7-15(19)10(13)3/h4-7H,19H2,1-3H3.
What are the key properties of (3-amino-5-bromo-2-methylphenyl)-(4-bromo-2,5-dimethylphenyl)methanone?
(3-amino-5-bromo-2-methylphenyl)-(4-bromo-2,5-dimethylphenyl)methanone has a molecular weight of 397.11 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-bromo-2-methylphenyl)-(4-bromo-2,5-dimethylphenyl)methanone is sourced from PubChem (CID 107874173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).