(3-amino-5-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone

C14H10BrClFNO2 — CID 103396702

IUPAC(3-amino-5-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone
SMILESCOc1cc(F)c(Br)cc1C(=O)c1cc(N)cc(Cl)c1
InChIInChI=1S/C14H10BrClFNO2/c1-20-13-6-12(17)11(15)5-10(13)14(19)7-2-8(16)4-9(18)3-7/h2-6H,18H2,1H3
InChIKeyRAAMTQAXKKVHBW-UHFFFAOYSA-N
MW358.59 g/mol
LogP4.06
Rot. Bonds3

About (3-amino-5-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone

(3-amino-5-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone (PubChem CID 103396702) has the molecular formula C14H10BrClFNO2 and a molecular weight of 358.59 g/mol. Its IUPAC name is (3-amino-5-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone
PubChem CID103396702
Molecular FormulaC14H10BrClFNO2
Molecular Weight358.59 g/mol
Exact Mass356.96
IUPAC Name(3-amino-5-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone
SMILESCOc1cc(F)c(Br)cc1C(=O)c1cc(N)cc(Cl)c1
InChIInChI=1S/C14H10BrClFNO2/c1-20-13-6-12(17)11(15)5-10(13)14(19)7-2-8(16)4-9(18)3-7/h2-6H,18H2,1H3
InChIKeyRAAMTQAXKKVHBW-UHFFFAOYSA-N
XLogP4.06
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.59
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone
CID 103394161
(4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone
CID 103396687
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromophenyl)methanone
CID 103394193
(5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 65440857
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-6-fluorophenyl)methanone
CID 103394058
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanone
CID 103394263
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone
CID 107949762
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromofuran-3-yl)methanone
CID 106851427
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromofuran-2-yl)methanone
CID 103394164
(4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone
CID 105056470
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 43339851

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of (3-amino-5-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone (CID 103396702) is (3-amino-5-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for (3-amino-5-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for (3-amino-5-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone is COc1cc(F)c(Br)cc1C(=O)c1cc(N)cc(Cl)c1.
What is the InChIKey of (3-amino-5-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone?
The InChIKey is RAAMTQAXKKVHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO2/c1-20-13-6-12(17)11(15)5-10(13)14(19)7-2-8(16)4-9(18)3-7/h2-6H,18H2,1H3.
What are the key properties of (3-amino-5-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone?
(3-amino-5-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone has a molecular weight of 358.59 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 103396702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).