(4-amino-2-methylphenyl)-(3,5-dibromophenyl)methanone

C14H11Br2NO — CID 107981120

IUPAC(4-amino-2-methylphenyl)-(3,5-dibromophenyl)methanone
SMILESCc1cc(N)ccc1C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H11Br2NO/c1-8-4-12(17)2-3-13(8)14(18)9-5-10(15)7-11(16)6-9/h2-7H,17H2,1H3
InChIKeyDKOKHTLOHGQIJS-UHFFFAOYSA-N
MW369.06 g/mol
LogP4.33
Rot. Bonds2

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

(4-amino-2-methylphenyl)-(3,5-dibromophenyl)methanone (PubChem CID 107981120) has the molecular formula C14H11Br2NO and a molecular weight of 369.06 g/mol. Its IUPAC name is (4-amino-2-methylphenyl)-(3,5-dibromophenyl)methanone.

Molecular Properties

Compound Name(4-amino-2-methylphenyl)-(3,5-dibromophenyl)methanone
PubChem CID107981120
Molecular FormulaC14H11Br2NO
Molecular Weight369.06 g/mol
Exact Mass366.92
IUPAC Name(4-amino-2-methylphenyl)-(3,5-dibromophenyl)methanone
SMILESCc1cc(N)ccc1C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H11Br2NO/c1-8-4-12(17)2-3-13(8)14(18)9-5-10(15)7-11(16)6-9/h2-7H,17H2,1H3
InChIKeyDKOKHTLOHGQIJS-UHFFFAOYSA-N
XLogP4.33
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.06
LogP ≤ 54.33
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

(4-amino-2-methylphenyl)-(5-bromothiophen-3-yl)methanone
CID 107966500
(4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone
CID 163468215
(3-amino-5-bromophenyl)-(5-fluoro-2-methylphenyl)methanone
CID 116597045
4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide
CID 107578505
(4-bromo-2-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299227
(4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone
CID 112694073
(4-aminophenyl)-(2,4-dibromophenyl)methanone
CID 107957044
(3-amino-2-methylphenyl)-(4-amino-2-methylphenyl)methanone
CID 118105017
(4-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanone
CID 113396668
(3-bromo-5-chlorophenyl)-(2-methylphenyl)methanone
CID 107944273
(4-aminophenyl)-(2-bromo-5-methylphenyl)methanone
CID 81117835
(3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 107979582

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylphenyl)-(3,5-dibromophenyl)methanone?
The IUPAC name of (4-amino-2-methylphenyl)-(3,5-dibromophenyl)methanone (CID 107981120) is (4-amino-2-methylphenyl)-(3,5-dibromophenyl)methanone.
What is the SMILES notation for (4-amino-2-methylphenyl)-(3,5-dibromophenyl)methanone?
The canonical SMILES for (4-amino-2-methylphenyl)-(3,5-dibromophenyl)methanone is Cc1cc(N)ccc1C(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of (4-amino-2-methylphenyl)-(3,5-dibromophenyl)methanone?
The InChIKey is DKOKHTLOHGQIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NO/c1-8-4-12(17)2-3-13(8)14(18)9-5-10(15)7-11(16)6-9/h2-7H,17H2,1H3.
What are the key properties of (4-amino-2-methylphenyl)-(3,5-dibromophenyl)methanone?
(4-amino-2-methylphenyl)-(3,5-dibromophenyl)methanone has a molecular weight of 369.06 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylphenyl)-(3,5-dibromophenyl)methanone is sourced from PubChem (CID 107981120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).