N-(4-amino-2,6-dichlorophenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide

C18H18Cl2N2O4 — CID 23204726

IUPACN-(4-amino-2,6-dichlorophenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cc(N)cc2Cl)cc1OC1CCOC1
InChIInChI=1S/C18H18Cl2N2O4/c1-24-15-3-2-10(6-16(15)26-12-4-5-25-9-12)18(23)22-17-13(19)7-11(21)8-14(17)20/h2-3,6-8,12H,4-5,9,21H2,1H3,(H,22,23)
InChIKeyWMZHWUYAJKITHS-UHFFFAOYSA-N
MW397.26 g/mol
LogP4.00
Rot. Bonds5

About N-(4-amino-2,6-dichlorophenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide

N-(4-amino-2,6-dichlorophenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide (PubChem CID 23204726) has the molecular formula C18H18Cl2N2O4 and a molecular weight of 397.26 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide
PubChem CID23204726
Molecular FormulaC18H18Cl2N2O4
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cc(N)cc2Cl)cc1OC1CCOC1
InChIInChI=1S/C18H18Cl2N2O4/c1-24-15-3-2-10(6-16(15)26-12-4-5-25-9-12)18(23)22-17-13(19)7-11(21)8-14(17)20/h2-3,6-8,12H,4-5,9,21H2,1H3,(H,22,23)
InChIKeyWMZHWUYAJKITHS-UHFFFAOYSA-N
XLogP4.00
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide (CID 23204726) is N-(4-amino-2,6-dichlorophenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide is COc1ccc(C(=O)Nc2c(Cl)cc(N)cc2Cl)cc1OC1CCOC1.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide?
The InChIKey is WMZHWUYAJKITHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4/c1-24-15-3-2-10(6-16(15)26-12-4-5-25-9-12)18(23)22-17-13(19)7-11(21)8-14(17)20/h2-3,6-8,12H,4-5,9,21H2,1H3,(H,22,23).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide?
N-(4-amino-2,6-dichlorophenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide has a molecular weight of 397.26 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide is sourced from PubChem (CID 23204726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).