1-(2-amino-5-bromophenyl)-2-(4-chlorophenyl)ethanone

C14H11BrClNO — CID 82703999

IUPAC1-(2-amino-5-bromophenyl)-2-(4-chlorophenyl)ethanone
SMILESNc1ccc(Br)cc1C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H11BrClNO/c15-10-3-6-13(17)12(8-10)14(18)7-9-1-4-11(16)5-2-9/h1-6,8H,7,17H2
InChIKeyYYLXCPBXSURZMU-UHFFFAOYSA-N
MW324.61 g/mol
LogP4.11
Rot. Bonds3

About 1-(2-amino-5-bromophenyl)-2-(4-chlorophenyl)ethanone

1-(2-amino-5-bromophenyl)-2-(4-chlorophenyl)ethanone (PubChem CID 82703999) has the molecular formula C14H11BrClNO and a molecular weight of 324.61 g/mol. Its IUPAC name is 1-(2-amino-5-bromophenyl)-2-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-5-bromophenyl)-2-(4-chlorophenyl)ethanone
PubChem CID82703999
Molecular FormulaC14H11BrClNO
Molecular Weight324.61 g/mol
Exact Mass322.97
IUPAC Name1-(2-amino-5-bromophenyl)-2-(4-chlorophenyl)ethanone
SMILESNc1ccc(Br)cc1C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H11BrClNO/c15-10-3-6-13(17)12(8-10)14(18)7-9-1-4-11(16)5-2-9/h1-6,8H,7,17H2
InChIKeyYYLXCPBXSURZMU-UHFFFAOYSA-N
XLogP4.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 54.11
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

1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone
CID 116581383
1-(2-amino-5-bromophenyl)-2-(3-hydroxyphenyl)ethanone
CID 82704146
1-(2-amino-4-bromophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 116591699
2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide
CID 79714993
2-[(2-amino-5-bromobenzoyl)amino]-3-(4-chlorophenyl)propanoic acid
CID 18422774
1-(2-amino-5-bromophenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 82703777
1-(4-bromo-2-chlorophenyl)-2-(4-ethylphenyl)ethanone
CID 114963420
2-(4-bromophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanone
CID 82771447
1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81110989
1-(2-amino-5-bromophenyl)-2-(2,6-dimethylphenyl)ethanone
CID 82703996
2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)ethanone
CID 103301488
1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
CID 55095977

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromophenyl)-2-(4-chlorophenyl)ethanone?
The IUPAC name of 1-(2-amino-5-bromophenyl)-2-(4-chlorophenyl)ethanone (CID 82703999) is 1-(2-amino-5-bromophenyl)-2-(4-chlorophenyl)ethanone.
What is the SMILES notation for 1-(2-amino-5-bromophenyl)-2-(4-chlorophenyl)ethanone?
The canonical SMILES for 1-(2-amino-5-bromophenyl)-2-(4-chlorophenyl)ethanone is Nc1ccc(Br)cc1C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(2-amino-5-bromophenyl)-2-(4-chlorophenyl)ethanone?
The InChIKey is YYLXCPBXSURZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO/c15-10-3-6-13(17)12(8-10)14(18)7-9-1-4-11(16)5-2-9/h1-6,8H,7,17H2.
What are the key properties of 1-(2-amino-5-bromophenyl)-2-(4-chlorophenyl)ethanone?
1-(2-amino-5-bromophenyl)-2-(4-chlorophenyl)ethanone has a molecular weight of 324.61 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromophenyl)-2-(4-chlorophenyl)ethanone is sourced from PubChem (CID 82703999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).