5-chloro-4-[(4-methoxyphenyl)methoxymethyl]-2-(oxiran-2-ylmethoxy)benzamide

C19H20ClNO5 — CID 87609736

IUPAC5-chloro-4-[(4-methoxyphenyl)methoxymethyl]-2-(oxiran-2-ylmethoxy)benzamide
SMILESCOc1ccc(COCc2cc(OCC3CO3)c(C(N)=O)cc2Cl)cc1
InChIInChI=1S/C19H20ClNO5/c1-23-14-4-2-12(3-5-14)8-24-9-13-6-18(26-11-15-10-25-15)16(19(21)22)7-17(13)20/h2-7,15H,8-11H2,1H3,(H2,21,22)
InChIKeyHPPWSUGHZNSEQM-UHFFFAOYSA-N
MW377.82 g/mol
LogP2.94
Rot. Bonds9

About 5-chloro-4-[(4-methoxyphenyl)methoxymethyl]-2-(oxiran-2-ylmethoxy)benzamide

5-chloro-4-[(4-methoxyphenyl)methoxymethyl]-2-(oxiran-2-ylmethoxy)benzamide (PubChem CID 87609736) has the molecular formula C19H20ClNO5 and a molecular weight of 377.82 g/mol. Its IUPAC name is 5-chloro-4-[(4-methoxyphenyl)methoxymethyl]-2-(oxiran-2-ylmethoxy)benzamide.

Molecular Properties

Compound Name5-chloro-4-[(4-methoxyphenyl)methoxymethyl]-2-(oxiran-2-ylmethoxy)benzamide
PubChem CID87609736
Molecular FormulaC19H20ClNO5
Molecular Weight377.82 g/mol
Exact Mass377.10
IUPAC Name5-chloro-4-[(4-methoxyphenyl)methoxymethyl]-2-(oxiran-2-ylmethoxy)benzamide
SMILESCOc1ccc(COCc2cc(OCC3CO3)c(C(N)=O)cc2Cl)cc1
InChIInChI=1S/C19H20ClNO5/c1-23-14-4-2-12(3-5-14)8-24-9-13-6-18(26-11-15-10-25-15)16(19(21)22)7-17(13)20/h2-7,15H,8-11H2,1H3,(H2,21,22)
InChIKeyHPPWSUGHZNSEQM-UHFFFAOYSA-N
XLogP2.94
TPSA83.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.82
LogP ≤ 52.94
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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Related Compounds

5-chloro-4-[(4-methoxyphenyl)methoxy]-N-methyl-2-[[(2R)-oxiran-2-yl]methoxy]benzamide
CID 57494315
4-chloro-3-[(4-methoxyphenyl)methoxymethyl]aniline
CID 43350184
5-chloro-N,4-dimethyl-2-[[(2S)-oxiran-2-yl]methoxy]benzamide
CID 89113099
bis[4-(oxiran-2-ylmethoxy)phenyl] 2,5-dimethoxybenzene-1,4-dicarboxylate
CID 101169142
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430
2-(fluoromethoxy)-6-[(4-methoxyphenyl)methoxymethyl]benzamide
CID 90852782
2-(chloromethyl)oxirane;4-methoxyphenol;2-[(4-methoxyphenoxy)methyl]oxirane
CID 157284008
2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane
CID 58044663
2-[[4-[(4-ethenylphenyl)methoxymethyl]-2-methoxyphenoxy]methyl]oxirane
CID 164766765
(2S)-2-[4-[(4-methoxyphenyl)methoxy]but-2-ynyl]oxirane
CID 11172314
oxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate
CID 174203610
2-chloro-4-methoxy-5-(oxiran-2-ylmethoxy)aniline
CID 89105920

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(4-methoxyphenyl)methoxymethyl]-2-(oxiran-2-ylmethoxy)benzamide?
The IUPAC name of 5-chloro-4-[(4-methoxyphenyl)methoxymethyl]-2-(oxiran-2-ylmethoxy)benzamide (CID 87609736) is 5-chloro-4-[(4-methoxyphenyl)methoxymethyl]-2-(oxiran-2-ylmethoxy)benzamide.
What is the SMILES notation for 5-chloro-4-[(4-methoxyphenyl)methoxymethyl]-2-(oxiran-2-ylmethoxy)benzamide?
The canonical SMILES for 5-chloro-4-[(4-methoxyphenyl)methoxymethyl]-2-(oxiran-2-ylmethoxy)benzamide is COc1ccc(COCc2cc(OCC3CO3)c(C(N)=O)cc2Cl)cc1.
What is the InChIKey of 5-chloro-4-[(4-methoxyphenyl)methoxymethyl]-2-(oxiran-2-ylmethoxy)benzamide?
The InChIKey is HPPWSUGHZNSEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO5/c1-23-14-4-2-12(3-5-14)8-24-9-13-6-18(26-11-15-10-25-15)16(19(21)22)7-17(13)20/h2-7,15H,8-11H2,1H3,(H2,21,22).
What are the key properties of 5-chloro-4-[(4-methoxyphenyl)methoxymethyl]-2-(oxiran-2-ylmethoxy)benzamide?
5-chloro-4-[(4-methoxyphenyl)methoxymethyl]-2-(oxiran-2-ylmethoxy)benzamide has a molecular weight of 377.82 g/mol, XLogP of 2.94, 9 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)methoxymethyl]-2-(oxiran-2-ylmethoxy)benzamide is sourced from PubChem (CID 87609736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).