(5-amino-2-bromophenyl)-(2,3-dimethylphenyl)methanone

C15H14BrNO — CID 116602810

IUPAC(5-amino-2-bromophenyl)-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)c2cc(N)ccc2Br)c1C
InChIInChI=1S/C15H14BrNO/c1-9-4-3-5-12(10(9)2)15(18)13-8-11(17)6-7-14(13)16/h3-8H,17H2,1-2H3
InChIKeyQNLRGCLZHRBIAH-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.88
Rot. Bonds2

About (5-amino-2-bromophenyl)-(2,3-dimethylphenyl)methanone

(5-amino-2-bromophenyl)-(2,3-dimethylphenyl)methanone (PubChem CID 116602810) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is (5-amino-2-bromophenyl)-(2,3-dimethylphenyl)methanone.

Molecular Properties

Compound Name(5-amino-2-bromophenyl)-(2,3-dimethylphenyl)methanone
PubChem CID116602810
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name(5-amino-2-bromophenyl)-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)c2cc(N)ccc2Br)c1C
InChIInChI=1S/C15H14BrNO/c1-9-4-3-5-12(10(9)2)15(18)13-8-11(17)6-7-14(13)16/h3-8H,17H2,1-2H3
InChIKeyQNLRGCLZHRBIAH-UHFFFAOYSA-N
XLogP3.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.88
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-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 107100346
(3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 114970193
(5-amino-2-bromophenyl)-(2,6-dimethoxyphenyl)methanone
CID 116811602
(3-amino-2-methylphenyl)-(4-amino-2-methylphenyl)methanone
CID 118105017
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone
CID 112694096
(2,5-dibromophenyl)-(2-methylphenyl)methanone
CID 114962947
(4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone
CID 114329761
5-amino-2-bromo-N-(2,5-dimethylpyrrol-1-yl)benzamide
CID 115297412
(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 115565910
5-amino-2-bromo-N-(2-cyano-3-methylphenyl)benzamide
CID 107802401
(5-amino-2-bromophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547115
5-amino-2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 115297476

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-bromophenyl)-(2,3-dimethylphenyl)methanone?
The IUPAC name of (5-amino-2-bromophenyl)-(2,3-dimethylphenyl)methanone (CID 116602810) is (5-amino-2-bromophenyl)-(2,3-dimethylphenyl)methanone.
What is the SMILES notation for (5-amino-2-bromophenyl)-(2,3-dimethylphenyl)methanone?
The canonical SMILES for (5-amino-2-bromophenyl)-(2,3-dimethylphenyl)methanone is Cc1cccc(C(=O)c2cc(N)ccc2Br)c1C.
What is the InChIKey of (5-amino-2-bromophenyl)-(2,3-dimethylphenyl)methanone?
The InChIKey is QNLRGCLZHRBIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-9-4-3-5-12(10(9)2)15(18)13-8-11(17)6-7-14(13)16/h3-8H,17H2,1-2H3.
What are the key properties of (5-amino-2-bromophenyl)-(2,3-dimethylphenyl)methanone?
(5-amino-2-bromophenyl)-(2,3-dimethylphenyl)methanone has a molecular weight of 304.19 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-bromophenyl)-(2,3-dimethylphenyl)methanone is sourced from PubChem (CID 116602810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).