(2-amino-4-bromophenyl)-(3,4-difluorophenyl)methanone

C13H8BrF2NO — CID 116591705

IUPAC(2-amino-4-bromophenyl)-(3,4-difluorophenyl)methanone
SMILESNc1cc(Br)ccc1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H8BrF2NO/c14-8-2-3-9(12(17)6-8)13(18)7-1-4-10(15)11(16)5-7/h1-6H,17H2
InChIKeyNDPNYQDNYXDVLY-UHFFFAOYSA-N
MW312.11 g/mol
LogP3.54
Rot. Bonds2

About (2-amino-4-bromophenyl)-(3,4-difluorophenyl)methanone

(2-amino-4-bromophenyl)-(3,4-difluorophenyl)methanone (PubChem CID 116591705) has the molecular formula C13H8BrF2NO and a molecular weight of 312.11 g/mol. Its IUPAC name is (2-amino-4-bromophenyl)-(3,4-difluorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-4-bromophenyl)-(3,4-difluorophenyl)methanone
PubChem CID116591705
Molecular FormulaC13H8BrF2NO
Molecular Weight312.11 g/mol
Exact Mass310.98
IUPAC Name(2-amino-4-bromophenyl)-(3,4-difluorophenyl)methanone
SMILESNc1cc(Br)ccc1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H8BrF2NO/c14-8-2-3-9(12(17)6-8)13(18)7-1-4-10(15)11(16)5-7/h1-6H,17H2
InChIKeyNDPNYQDNYXDVLY-UHFFFAOYSA-N
XLogP3.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (2-amino-4-bromophenyl)-(3,4-difluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-4-bromophenyl)-(4-chlorophenyl)methanone
CID 15918246
(2-amino-4-bromophenyl)-(3-fluorophenyl)methanone
CID 116591874
(2-amino-4-bromophenyl)-(3-chlorophenyl)methanone
CID 116591876
(2-amino-4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 116591847
(4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 103750489
(4-bromo-2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288344
(4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288345
(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474023
(5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 79743346
(4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone
CID 43338232
3-amino-4-(3,4-difluorobenzoyl)cyclobut-3-ene-1,2-dione
CID 142659174
(2,4-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338229

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-bromophenyl)-(3,4-difluorophenyl)methanone?
The IUPAC name of (2-amino-4-bromophenyl)-(3,4-difluorophenyl)methanone (CID 116591705) is (2-amino-4-bromophenyl)-(3,4-difluorophenyl)methanone.
What is the SMILES notation for (2-amino-4-bromophenyl)-(3,4-difluorophenyl)methanone?
The canonical SMILES for (2-amino-4-bromophenyl)-(3,4-difluorophenyl)methanone is Nc1cc(Br)ccc1C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of (2-amino-4-bromophenyl)-(3,4-difluorophenyl)methanone?
The InChIKey is NDPNYQDNYXDVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2NO/c14-8-2-3-9(12(17)6-8)13(18)7-1-4-10(15)11(16)5-7/h1-6H,17H2.
What are the key properties of (2-amino-4-bromophenyl)-(3,4-difluorophenyl)methanone?
(2-amino-4-bromophenyl)-(3,4-difluorophenyl)methanone has a molecular weight of 312.11 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-bromophenyl)-(3,4-difluorophenyl)methanone is sourced from PubChem (CID 116591705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).