(4-amino-2-methoxyphenyl)-(2,3,4,6-tetrachlorophenyl)methanone

C14H9Cl4NO2 — CID 105350296

IUPAC(4-amino-2-methoxyphenyl)-(2,3,4,6-tetrachlorophenyl)methanone
SMILESCOc1cc(N)ccc1C(=O)c1c(Cl)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C14H9Cl4NO2/c1-21-10-4-6(19)2-3-7(10)14(20)11-8(15)5-9(16)12(17)13(11)18/h2-5H,19H2,1H3
InChIKeyYYQQFQDSDWTFHQ-UHFFFAOYSA-N
MW365.04 g/mol
LogP5.12
Rot. Bonds3

About (4-amino-2-methoxyphenyl)-(2,3,4,6-tetrachlorophenyl)methanone

(4-amino-2-methoxyphenyl)-(2,3,4,6-tetrachlorophenyl)methanone (PubChem CID 105350296) has the molecular formula C14H9Cl4NO2 and a molecular weight of 365.04 g/mol. Its IUPAC name is (4-amino-2-methoxyphenyl)-(2,3,4,6-tetrachlorophenyl)methanone.

Molecular Properties

Compound Name(4-amino-2-methoxyphenyl)-(2,3,4,6-tetrachlorophenyl)methanone
PubChem CID105350296
Molecular FormulaC14H9Cl4NO2
Molecular Weight365.04 g/mol
Exact Mass362.94
IUPAC Name(4-amino-2-methoxyphenyl)-(2,3,4,6-tetrachlorophenyl)methanone
SMILESCOc1cc(N)ccc1C(=O)c1c(Cl)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C14H9Cl4NO2/c1-21-10-4-6(19)2-3-7(10)14(20)11-8(15)5-9(16)12(17)13(11)18/h2-5H,19H2,1H3
InChIKeyYYQQFQDSDWTFHQ-UHFFFAOYSA-N
XLogP5.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.04
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-2-methoxyphenyl)-(2,4,6-trichlorophenyl)methanone
CID 105348850
(4-amino-2-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 104784994
(4-amino-2-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 113452764
(4-amino-2-chlorophenyl)-(4-methoxy-2,6-dimethylphenyl)methanone
CID 18358234
3-(4-amino-2-methoxyphenyl)-3-oxopropanoic acid
CID 146619681
1-(4-amino-2-methoxyphenyl)ethenol
CID 89240422
(5-chloro-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 105349259
(5-amino-2,3-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 107201476
(5-amino-2,3-dichlorophenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 107201379
(5-amino-2-bromophenyl)-(2,6-dimethoxyphenyl)methanone
CID 116811602
(4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-methoxyphenyl)methanone
CID 106764162
(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 115368770

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methoxyphenyl)-(2,3,4,6-tetrachlorophenyl)methanone?
The IUPAC name of (4-amino-2-methoxyphenyl)-(2,3,4,6-tetrachlorophenyl)methanone (CID 105350296) is (4-amino-2-methoxyphenyl)-(2,3,4,6-tetrachlorophenyl)methanone.
What is the SMILES notation for (4-amino-2-methoxyphenyl)-(2,3,4,6-tetrachlorophenyl)methanone?
The canonical SMILES for (4-amino-2-methoxyphenyl)-(2,3,4,6-tetrachlorophenyl)methanone is COc1cc(N)ccc1C(=O)c1c(Cl)cc(Cl)c(Cl)c1Cl.
What is the InChIKey of (4-amino-2-methoxyphenyl)-(2,3,4,6-tetrachlorophenyl)methanone?
The InChIKey is YYQQFQDSDWTFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl4NO2/c1-21-10-4-6(19)2-3-7(10)14(20)11-8(15)5-9(16)12(17)13(11)18/h2-5H,19H2,1H3.
What are the key properties of (4-amino-2-methoxyphenyl)-(2,3,4,6-tetrachlorophenyl)methanone?
(4-amino-2-methoxyphenyl)-(2,3,4,6-tetrachlorophenyl)methanone has a molecular weight of 365.04 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methoxyphenyl)-(2,3,4,6-tetrachlorophenyl)methanone is sourced from PubChem (CID 105350296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).