(4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone

C15H13Cl2NO3 — CID 104785092

IUPAC(4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(Cl)c(OC)cc2Cl)ccc1N
InChIInChI=1S/C15H13Cl2NO3/c1-20-13-7-10(16)9(6-11(13)17)15(19)8-3-4-12(18)14(5-8)21-2/h3-7H,18H2,1-2H3
InChIKeyURGVWLGWEAXRGP-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.82
Rot. Bonds4

About (4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone

(4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone (PubChem CID 104785092) has the molecular formula C15H13Cl2NO3 and a molecular weight of 326.18 g/mol. Its IUPAC name is (4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
PubChem CID104785092
Molecular FormulaC15H13Cl2NO3
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name(4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(Cl)c(OC)cc2Cl)ccc1N
InChIInChI=1S/C15H13Cl2NO3/c1-20-13-7-10(16)9(6-11(13)17)15(19)8-3-4-12(18)14(5-8)21-2/h3-7H,18H2,1-2H3
InChIKeyURGVWLGWEAXRGP-UHFFFAOYSA-N
XLogP3.82
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 104785073
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 107998395
(2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998262
(3-amino-4-methylphenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 116551045
(3-amino-2,5-difluorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 107123750
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone
CID 107949762
4-amino-3-methoxybenzoic acid;ethane
CID 91282219
methyl 4-amino-3-methoxybenzoate
CID 602411
(4-aminophenyl)-(2-chloro-4,5-diethoxyphenyl)methanone
CID 82268169
(2-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone
CID 21459016
(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115781862
(5-amino-2,3-dichlorophenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 107201379

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone?
The IUPAC name of (4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone (CID 104785092) is (4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone.
What is the SMILES notation for (4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone?
The canonical SMILES for (4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone is COc1cc(C(=O)c2cc(Cl)c(OC)cc2Cl)ccc1N.
What is the InChIKey of (4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone?
The InChIKey is URGVWLGWEAXRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3/c1-20-13-7-10(16)9(6-11(13)17)15(19)8-3-4-12(18)14(5-8)21-2/h3-7H,18H2,1-2H3.
What are the key properties of (4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone?
(4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone has a molecular weight of 326.18 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone is sourced from PubChem (CID 104785092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).