(5-amino-2,3-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone

C15H13Cl2NO2 — CID 107201476

IUPAC(5-amino-2,3-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C15H13Cl2NO2/c1-8-3-4-13(20-2)10(5-8)15(19)11-6-9(18)7-12(16)14(11)17/h3-7H,18H2,1-2H3
InChIKeyOTQLUHDRAAGTOQ-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.12
Rot. Bonds3

About (5-amino-2,3-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone

(5-amino-2,3-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone (PubChem CID 107201476) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is (5-amino-2,3-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(5-amino-2,3-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
PubChem CID107201476
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name(5-amino-2,3-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C15H13Cl2NO2/c1-8-3-4-13(20-2)10(5-8)15(19)11-6-9(18)7-12(16)14(11)17/h3-7H,18H2,1-2H3
InChIKeyOTQLUHDRAAGTOQ-UHFFFAOYSA-N
XLogP4.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.12
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-amino-2,3-dichlorophenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 107201379
(3-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 112580781
(4-amino-2-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 104784994
5-amino-3-chloro-2-(2-methoxy-5-methylanilino)benzoic acid
CID 107192996
(3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 43625949
(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115781862
(3-chloro-2,4-dimethoxyphenyl)-(2-chloro-4-methylphenyl)methanone
CID 106860870
5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide
CID 61093558
(5-amino-2-methoxyphenyl)-(2-methylphenyl)methanone
CID 82084658
5-amino-2,3-dichloro-N-(2-chloro-5-methylphenyl)benzamide
CID 107624082
(5-chloro-2-methoxyphenyl)-(2,3-dichlorophenyl)methanone
CID 86028415
(4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114321301

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,3-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of (5-amino-2,3-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone (CID 107201476) is (5-amino-2,3-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for (5-amino-2,3-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for (5-amino-2,3-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone is COc1ccc(C)cc1C(=O)c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of (5-amino-2,3-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is OTQLUHDRAAGTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-8-3-4-13(20-2)10(5-8)15(19)11-6-9(18)7-12(16)14(11)17/h3-7H,18H2,1-2H3.
What are the key properties of (5-amino-2,3-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone?
(5-amino-2,3-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone has a molecular weight of 310.18 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,3-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 107201476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).