5-chloro-4-[(4-methoxyphenyl)methoxy]-N-methyl-2-[[(2R)-oxiran-2-yl]methoxy]benzamide

C19H20ClNO5 — CID 57494315

IUPAC5-chloro-4-[(4-methoxyphenyl)methoxy]-N-methyl-2-[[(2R)-oxiran-2-yl]methoxy]benzamide
SMILESCNC(=O)c1cc(Cl)c(OCc2ccc(OC)cc2)cc1OC[C@H]1CO1
InChIInChI=1S/C19H20ClNO5/c1-21-19(22)15-7-16(20)18(8-17(15)26-11-14-10-24-14)25-9-12-3-5-13(23-2)6-4-12/h3-8,14H,9-11H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyKABXVNFTMAGTPE-CQSZACIVSA-N
MW377.82 g/mol
LogP3.06
Rot. Bonds8

About 5-chloro-4-[(4-methoxyphenyl)methoxy]-N-methyl-2-[[(2R)-oxiran-2-yl]methoxy]benzamide

5-chloro-4-[(4-methoxyphenyl)methoxy]-N-methyl-2-[[(2R)-oxiran-2-yl]methoxy]benzamide (PubChem CID 57494315) has the molecular formula C19H20ClNO5 and a molecular weight of 377.82 g/mol. Its IUPAC name is 5-chloro-4-[(4-methoxyphenyl)methoxy]-N-methyl-2-[[(2R)-oxiran-2-yl]methoxy]benzamide.

Molecular Properties

Compound Name5-chloro-4-[(4-methoxyphenyl)methoxy]-N-methyl-2-[[(2R)-oxiran-2-yl]methoxy]benzamide
PubChem CID57494315
Molecular FormulaC19H20ClNO5
Molecular Weight377.82 g/mol
Exact Mass377.10
IUPAC Name5-chloro-4-[(4-methoxyphenyl)methoxy]-N-methyl-2-[[(2R)-oxiran-2-yl]methoxy]benzamide
SMILESCNC(=O)c1cc(Cl)c(OCc2ccc(OC)cc2)cc1OC[C@H]1CO1
InChIInChI=1S/C19H20ClNO5/c1-21-19(22)15-7-16(20)18(8-17(15)26-11-14-10-24-14)25-9-12-3-5-13(23-2)6-4-12/h3-8,14H,9-11H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyKABXVNFTMAGTPE-CQSZACIVSA-N
XLogP3.06
TPSA69.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.82
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(4-methoxyphenyl)methoxy]-N-methyl-2-[[(2R)-oxiran-2-yl]methoxy]benzamide?
The IUPAC name of 5-chloro-4-[(4-methoxyphenyl)methoxy]-N-methyl-2-[[(2R)-oxiran-2-yl]methoxy]benzamide (CID 57494315) is 5-chloro-4-[(4-methoxyphenyl)methoxy]-N-methyl-2-[[(2R)-oxiran-2-yl]methoxy]benzamide.
What is the SMILES notation for 5-chloro-4-[(4-methoxyphenyl)methoxy]-N-methyl-2-[[(2R)-oxiran-2-yl]methoxy]benzamide?
The canonical SMILES for 5-chloro-4-[(4-methoxyphenyl)methoxy]-N-methyl-2-[[(2R)-oxiran-2-yl]methoxy]benzamide is CNC(=O)c1cc(Cl)c(OCc2ccc(OC)cc2)cc1OC[C@H]1CO1.
What is the InChIKey of 5-chloro-4-[(4-methoxyphenyl)methoxy]-N-methyl-2-[[(2R)-oxiran-2-yl]methoxy]benzamide?
The InChIKey is KABXVNFTMAGTPE-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20ClNO5/c1-21-19(22)15-7-16(20)18(8-17(15)26-11-14-10-24-14)25-9-12-3-5-13(23-2)6-4-12/h3-8,14H,9-11H2,1-2H3,(H,21,22)/t14-/m1/s1.
What are the key properties of 5-chloro-4-[(4-methoxyphenyl)methoxy]-N-methyl-2-[[(2R)-oxiran-2-yl]methoxy]benzamide?
5-chloro-4-[(4-methoxyphenyl)methoxy]-N-methyl-2-[[(2R)-oxiran-2-yl]methoxy]benzamide has a molecular weight of 377.82 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(4-methoxyphenyl)methoxy]-N-methyl-2-[[(2R)-oxiran-2-yl]methoxy]benzamide is sourced from PubChem (CID 57494315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).