(4-amino-3,5-dichlorophenyl)-(4-ethoxyphenyl)methanone

C15H13Cl2NO2 — CID 116609755

IUPAC(4-amino-3,5-dichlorophenyl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cc(Cl)c(N)c(Cl)c2)cc1
InChIInChI=1S/C15H13Cl2NO2/c1-2-20-11-5-3-9(4-6-11)15(19)10-7-12(16)14(18)13(17)8-10/h3-8H,2,18H2,1H3
InChIKeyOVERVIJQGXWNHU-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.21
Rot. Bonds4

About (4-amino-3,5-dichlorophenyl)-(4-ethoxyphenyl)methanone

(4-amino-3,5-dichlorophenyl)-(4-ethoxyphenyl)methanone (PubChem CID 116609755) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is (4-amino-3,5-dichlorophenyl)-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-amino-3,5-dichlorophenyl)-(4-ethoxyphenyl)methanone
PubChem CID116609755
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name(4-amino-3,5-dichlorophenyl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cc(Cl)c(N)c(Cl)c2)cc1
InChIInChI=1S/C15H13Cl2NO2/c1-2-20-11-5-3-9(4-6-11)15(19)10-7-12(16)14(18)13(17)8-10/h3-8H,2,18H2,1H3
InChIKeyOVERVIJQGXWNHU-UHFFFAOYSA-N
XLogP4.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.21
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-6-chloropyrimidin-5-yl)-(4-ethoxyphenyl)methanone
CID 164662800
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393
(3-bromophenyl)-(4-ethoxyphenyl)methanone
CID 24723180
(4-butoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 107561455
(4-ethoxy-3-iodophenyl)-(4-ethoxyphenyl)methanone
CID 25178443
N-(3-amino-4-chlorophenyl)-4-ethoxybenzamide
CID 18071163
(3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone
CID 64712585
(3-amino-4,5-dichlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662563
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate
CID 7765037
(3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone
CID 135325812
(3-chloro-4-methylphenyl)-(4-octoxyphenyl)methanone
CID 20667937
(4-ethoxyphenyl)-pyridazin-4-ylmethanone
CID 105093922

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-dichlorophenyl)-(4-ethoxyphenyl)methanone?
The IUPAC name of (4-amino-3,5-dichlorophenyl)-(4-ethoxyphenyl)methanone (CID 116609755) is (4-amino-3,5-dichlorophenyl)-(4-ethoxyphenyl)methanone.
What is the SMILES notation for (4-amino-3,5-dichlorophenyl)-(4-ethoxyphenyl)methanone?
The canonical SMILES for (4-amino-3,5-dichlorophenyl)-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)c2cc(Cl)c(N)c(Cl)c2)cc1.
What is the InChIKey of (4-amino-3,5-dichlorophenyl)-(4-ethoxyphenyl)methanone?
The InChIKey is OVERVIJQGXWNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-2-20-11-5-3-9(4-6-11)15(19)10-7-12(16)14(18)13(17)8-10/h3-8H,2,18H2,1H3.
What are the key properties of (4-amino-3,5-dichlorophenyl)-(4-ethoxyphenyl)methanone?
(4-amino-3,5-dichlorophenyl)-(4-ethoxyphenyl)methanone has a molecular weight of 310.18 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-dichlorophenyl)-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 116609755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).