(3-amino-5-bromophenyl)-(3-bromo-2,6-difluorophenyl)methanone

C13H7Br2F2NO — CID 106944116

IUPAC(3-amino-5-bromophenyl)-(3-bromo-2,6-difluorophenyl)methanone
SMILESNc1cc(Br)cc(C(=O)c2c(F)ccc(Br)c2F)c1
InChIInChI=1S/C13H7Br2F2NO/c14-7-3-6(4-8(18)5-7)13(19)11-10(16)2-1-9(15)12(11)17/h1-5H,18H2
InChIKeyRPCUTZVRDLPIJK-UHFFFAOYSA-N
MW391.01 g/mol
LogP4.30
Rot. Bonds2

About (3-amino-5-bromophenyl)-(3-bromo-2,6-difluorophenyl)methanone

(3-amino-5-bromophenyl)-(3-bromo-2,6-difluorophenyl)methanone (PubChem CID 106944116) has the molecular formula C13H7Br2F2NO and a molecular weight of 391.01 g/mol. Its IUPAC name is (3-amino-5-bromophenyl)-(3-bromo-2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-bromophenyl)-(3-bromo-2,6-difluorophenyl)methanone
PubChem CID106944116
Molecular FormulaC13H7Br2F2NO
Molecular Weight391.01 g/mol
Exact Mass388.89
IUPAC Name(3-amino-5-bromophenyl)-(3-bromo-2,6-difluorophenyl)methanone
SMILESNc1cc(Br)cc(C(=O)c2c(F)ccc(Br)c2F)c1
InChIInChI=1S/C13H7Br2F2NO/c14-7-3-6(4-8(18)5-7)13(19)11-10(16)2-1-9(15)12(11)17/h1-5H,18H2
InChIKeyRPCUTZVRDLPIJK-UHFFFAOYSA-N
XLogP4.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.01
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone
CID 106944351
(3-amino-5-bromophenyl)-(2-fluorophenyl)methanone
CID 116597103
(3-bromo-2,6-difluorophenyl)-phenylmethanone
CID 106941652
(3-amino-4-methylphenyl)-(3-bromo-2,6-difluorophenyl)methanone
CID 106943985
(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 106944264
(3-bromo-2,6-difluorophenyl)-(furan-3-yl)methanone
CID 106941716
(3-amino-5-bromophenyl)-(5-fluoro-2-methylphenyl)methanone
CID 116597045
(3-bromo-2,6-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 106941639
3-bromo-2,6-difluorobenzoyl chloride
CID 51000132
(3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 106944382
(3-bromo-2,6-difluorophenyl)methyl 3-amino-5-fluorobenzoate
CID 106269697
(3-bromo-2,6-difluorophenyl)-pyridin-3-ylmethanone
CID 106941643

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-bromophenyl)-(3-bromo-2,6-difluorophenyl)methanone?
The IUPAC name of (3-amino-5-bromophenyl)-(3-bromo-2,6-difluorophenyl)methanone (CID 106944116) is (3-amino-5-bromophenyl)-(3-bromo-2,6-difluorophenyl)methanone.
What is the SMILES notation for (3-amino-5-bromophenyl)-(3-bromo-2,6-difluorophenyl)methanone?
The canonical SMILES for (3-amino-5-bromophenyl)-(3-bromo-2,6-difluorophenyl)methanone is Nc1cc(Br)cc(C(=O)c2c(F)ccc(Br)c2F)c1.
What is the InChIKey of (3-amino-5-bromophenyl)-(3-bromo-2,6-difluorophenyl)methanone?
The InChIKey is RPCUTZVRDLPIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2F2NO/c14-7-3-6(4-8(18)5-7)13(19)11-10(16)2-1-9(15)12(11)17/h1-5H,18H2.
What are the key properties of (3-amino-5-bromophenyl)-(3-bromo-2,6-difluorophenyl)methanone?
(3-amino-5-bromophenyl)-(3-bromo-2,6-difluorophenyl)methanone has a molecular weight of 391.01 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-bromophenyl)-(3-bromo-2,6-difluorophenyl)methanone is sourced from PubChem (CID 106944116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).