(4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone

C15H13ClFNO2 — CID 104785073

IUPAC(4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(C)c(F)cc2Cl)ccc1N
InChIInChI=1S/C15H13ClFNO2/c1-8-5-10(11(16)7-12(8)17)15(19)9-3-4-13(18)14(6-9)20-2/h3-7H,18H2,1-2H3
InChIKeyLUUQEMZICHWGKV-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.61
Rot. Bonds3

About (4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone

(4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone (PubChem CID 104785073) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is (4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
PubChem CID104785073
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name(4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(C)c(F)cc2Cl)ccc1N
InChIInChI=1S/C15H13ClFNO2/c1-8-5-10(11(16)7-12(8)17)15(19)9-3-4-13(18)14(6-9)20-2/h3-7H,18H2,1-2H3
InChIKeyLUUQEMZICHWGKV-UHFFFAOYSA-N
XLogP3.61
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.61
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

(4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 104785092
(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81045034
(4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 115781836
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone
CID 81047587
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-methoxyphenyl)methanone
CID 81045720
(2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998262
(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 114019742
(3-amino-4,5-dichlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81050839
(4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
CID 107477758
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone
CID 107949762
(4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209380
(4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 82773780

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
The IUPAC name of (4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone (CID 104785073) is (4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone is COc1cc(C(=O)c2cc(C)c(F)cc2Cl)ccc1N.
What is the InChIKey of (4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
The InChIKey is LUUQEMZICHWGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-8-5-10(11(16)7-12(8)17)15(19)9-3-4-13(18)14(6-9)20-2/h3-7H,18H2,1-2H3.
What are the key properties of (4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
(4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone has a molecular weight of 293.73 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 104785073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).