(3-amino-2,4-dimethoxyphenyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone

C16H14F3NO4 — CID 71659109

IUPAC(3-amino-2,4-dimethoxyphenyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(F)c(F)c(OC)c2F)c(OC)c1N
InChIInChI=1S/C16H14F3NO4/c1-22-10-5-4-7(15(23-2)13(10)20)14(21)8-6-9(17)12(19)16(24-3)11(8)18/h4-6H,20H2,1-3H3
InChIKeySVASRRVZIDWKKE-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.94
Rot. Bonds5

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

(3-amino-2,4-dimethoxyphenyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone (PubChem CID 71659109) has the molecular formula C16H14F3NO4 and a molecular weight of 341.29 g/mol. Its IUPAC name is (3-amino-2,4-dimethoxyphenyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-2,4-dimethoxyphenyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone
PubChem CID71659109
Molecular FormulaC16H14F3NO4
Molecular Weight341.29 g/mol
Exact Mass341.09
IUPAC Name(3-amino-2,4-dimethoxyphenyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(F)c(F)c(OC)c2F)c(OC)c1N
InChIInChI=1S/C16H14F3NO4/c1-22-10-5-4-7(15(23-2)13(10)20)14(21)8-6-9(17)12(19)16(24-3)11(8)18/h4-6H,20H2,1-3H3
InChIKeySVASRRVZIDWKKE-UHFFFAOYSA-N
XLogP2.94
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

E-3-(3-azanyl-4-methoxy-phenyl)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)prop-2-en-1-one
CID 72188750
(3-Amino-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 9973110
(E)-3-(3-amino-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 10286758
3-(3,4,5-Trimethoxybenzoyl)aniline
CID 11748175
Piscerythramine
CID 5281802
(3-Amino-4-propan-2-yloxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 11210139
(5-Amino-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 11278543
(3-Amino-4-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 11348104
1-(3-Amino-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 24857818
N-[2,6-dimethoxy-3-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
CID 54754341
(3-Amino-2,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 54754342
(3-Amino-4-methoxyphenyl)-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone
CID 90670327

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,4-dimethoxyphenyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone?
The IUPAC name of (3-amino-2,4-dimethoxyphenyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone (CID 71659109) is (3-amino-2,4-dimethoxyphenyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for (3-amino-2,4-dimethoxyphenyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone?
The canonical SMILES for (3-amino-2,4-dimethoxyphenyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone is COc1ccc(C(=O)c2cc(F)c(F)c(OC)c2F)c(OC)c1N.
What is the InChIKey of (3-amino-2,4-dimethoxyphenyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone?
The InChIKey is SVASRRVZIDWKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO4/c1-22-10-5-4-7(15(23-2)13(10)20)14(21)8-6-9(17)12(19)16(24-3)11(8)18/h4-6H,20H2,1-3H3.
What are the key properties of (3-amino-2,4-dimethoxyphenyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone?
(3-amino-2,4-dimethoxyphenyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone has a molecular weight of 341.29 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,4-dimethoxyphenyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 71659109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).