5-chloro-N,4-dimethyl-2-[[(2S)-oxiran-2-yl]methoxy]benzamide

C12H14ClNO3 — CID 89113099

IUPAC5-chloro-N,4-dimethyl-2-[[(2S)-oxiran-2-yl]methoxy]benzamide
SMILESCNC(=O)c1cc(Cl)c(C)cc1OC[C@@H]1CO1
InChIInChI=1S/C12H14ClNO3/c1-7-3-11(17-6-8-5-16-8)9(4-10(7)13)12(15)14-2/h3-4,8H,5-6H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyUZFCSHNBHLRQPU-QMMMGPOBSA-N
MW255.70 g/mol
LogP1.79
Rot. Bonds4

About 5-chloro-N,4-dimethyl-2-[[(2S)-oxiran-2-yl]methoxy]benzamide

5-chloro-N,4-dimethyl-2-[[(2S)-oxiran-2-yl]methoxy]benzamide (PubChem CID 89113099) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 5-chloro-N,4-dimethyl-2-[[(2S)-oxiran-2-yl]methoxy]benzamide.

Molecular Properties

Compound Name5-chloro-N,4-dimethyl-2-[[(2S)-oxiran-2-yl]methoxy]benzamide
PubChem CID89113099
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name5-chloro-N,4-dimethyl-2-[[(2S)-oxiran-2-yl]methoxy]benzamide
SMILESCNC(=O)c1cc(Cl)c(C)cc1OC[C@@H]1CO1
InChIInChI=1S/C12H14ClNO3/c1-7-3-11(17-6-8-5-16-8)9(4-10(7)13)12(15)14-2/h3-4,8H,5-6H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyUZFCSHNBHLRQPU-QMMMGPOBSA-N
XLogP1.79
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
(2S)-2-[(3-chloro-4-methylphenoxy)methyl]oxirane
CID 40802006
2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane
CID 58044663
N-methyl-2-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide
CID 86612852
1-amino-1-[2-(1,4-dioxan-2-ylmethoxy)-4-fluorophenyl]-3-methylurea
CID 144641252
[4-chloro-5-methyl-2-(morpholin-2-ylmethoxy)phenyl]urea
CID 175102122
5-chloro-4-[(4-methoxyphenyl)methoxymethyl]-2-(oxiran-2-ylmethoxy)benzamide
CID 87609736
bis[4-(oxiran-2-ylmethoxy)phenyl] 2,5-dimethoxybenzene-1,4-dicarboxylate
CID 101169142
2-[(4-chloro-3,5-dimethylphenoxy)methyl]oxirane
CID 43175697
[4-(oxiran-2-ylmethoxy)phenyl] acetate
CID 57173964
3-chloro-4-[[(2R)-oxiran-2-yl]methoxy]benzonitrile
CID 130564095
methyl 4-(5-chloro-2-ethoxy-4-methylphenyl)-4-oxobutanoate
CID 82553262

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,4-dimethyl-2-[[(2S)-oxiran-2-yl]methoxy]benzamide?
The IUPAC name of 5-chloro-N,4-dimethyl-2-[[(2S)-oxiran-2-yl]methoxy]benzamide (CID 89113099) is 5-chloro-N,4-dimethyl-2-[[(2S)-oxiran-2-yl]methoxy]benzamide.
What is the SMILES notation for 5-chloro-N,4-dimethyl-2-[[(2S)-oxiran-2-yl]methoxy]benzamide?
The canonical SMILES for 5-chloro-N,4-dimethyl-2-[[(2S)-oxiran-2-yl]methoxy]benzamide is CNC(=O)c1cc(Cl)c(C)cc1OC[C@@H]1CO1.
What is the InChIKey of 5-chloro-N,4-dimethyl-2-[[(2S)-oxiran-2-yl]methoxy]benzamide?
The InChIKey is UZFCSHNBHLRQPU-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-7-3-11(17-6-8-5-16-8)9(4-10(7)13)12(15)14-2/h3-4,8H,5-6H2,1-2H3,(H,14,15)/t8-/m0/s1.
What are the key properties of 5-chloro-N,4-dimethyl-2-[[(2S)-oxiran-2-yl]methoxy]benzamide?
5-chloro-N,4-dimethyl-2-[[(2S)-oxiran-2-yl]methoxy]benzamide has a molecular weight of 255.70 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,4-dimethyl-2-[[(2S)-oxiran-2-yl]methoxy]benzamide is sourced from PubChem (CID 89113099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).