(2-amino-6-methoxyphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone

C14H10BrClFNO2 — CID 105400302

IUPAC(2-amino-6-methoxyphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
SMILESCOc1cccc(N)c1C(=O)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C14H10BrClFNO2/c1-20-12-4-2-3-11(18)13(12)14(19)7-5-9(16)8(15)6-10(7)17/h2-6H,18H2,1H3
InChIKeyAEDGRQMGKQATAA-UHFFFAOYSA-N
MW358.59 g/mol
LogP4.06
Rot. Bonds3

About (2-amino-6-methoxyphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone

(2-amino-6-methoxyphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone (PubChem CID 105400302) has the molecular formula C14H10BrClFNO2 and a molecular weight of 358.59 g/mol. Its IUPAC name is (2-amino-6-methoxyphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-6-methoxyphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
PubChem CID105400302
Molecular FormulaC14H10BrClFNO2
Molecular Weight358.59 g/mol
Exact Mass356.96
IUPAC Name(2-amino-6-methoxyphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
SMILESCOc1cccc(N)c1C(=O)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C14H10BrClFNO2/c1-20-12-4-2-3-11(18)13(12)14(19)7-5-9(16)8(15)6-10(7)17/h2-6H,18H2,1H3
InChIKeyAEDGRQMGKQATAA-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': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2-amino-6-methylphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400288
(3-amino-2-bromophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400274
(2-amino-6-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 81413910
(5-amino-2,4-difluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400298
(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301259
(2-amino-6-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 81413829
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone
CID 105398350
(2-amino-6-methoxyphenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 81414308
(5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400273
(4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 116809979
(4-bromo-5-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 105398427
(3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 106644895

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methoxyphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone?
The IUPAC name of (2-amino-6-methoxyphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone (CID 105400302) is (2-amino-6-methoxyphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for (2-amino-6-methoxyphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone?
The canonical SMILES for (2-amino-6-methoxyphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone is COc1cccc(N)c1C(=O)c1cc(Cl)c(Br)cc1F.
What is the InChIKey of (2-amino-6-methoxyphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone?
The InChIKey is AEDGRQMGKQATAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO2/c1-20-12-4-2-3-11(18)13(12)14(19)7-5-9(16)8(15)6-10(7)17/h2-6H,18H2,1H3.
What are the key properties of (2-amino-6-methoxyphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone?
(2-amino-6-methoxyphenyl)-(4-bromo-5-chloro-2-fluorophenyl)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 (2-amino-6-methoxyphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 105400302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).