(2R)-N-(2,4-dichlorophenyl)-2-methyloxirane-2-carboxamide

C10H9Cl2NO2 — CID 7067086

IUPAC(2R)-N-(2,4-dichlorophenyl)-2-methyloxirane-2-carboxamide
SMILESC[C@]1(C(=O)Nc2ccc(Cl)cc2Cl)CO1
InChIInChI=1S/C10H9Cl2NO2/c1-10(5-15-10)9(14)13-8-3-2-6(11)4-7(8)12/h2-4H,5H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyKITMQUMEHMRUPB-SNVBAGLBSA-N
MW246.09 g/mol
LogP2.72
Rot. Bonds2

About (2R)-N-(2,4-dichlorophenyl)-2-methyloxirane-2-carboxamide

(2R)-N-(2,4-dichlorophenyl)-2-methyloxirane-2-carboxamide (PubChem CID 7067086) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is (2R)-N-(2,4-dichlorophenyl)-2-methyloxirane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,4-dichlorophenyl)-2-methyloxirane-2-carboxamide
PubChem CID7067086
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC Name(2R)-N-(2,4-dichlorophenyl)-2-methyloxirane-2-carboxamide
SMILESC[C@]1(C(=O)Nc2ccc(Cl)cc2Cl)CO1
InChIInChI=1S/C10H9Cl2NO2/c1-10(5-15-10)9(14)13-8-3-2-6(11)4-7(8)12/h2-4H,5H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyKITMQUMEHMRUPB-SNVBAGLBSA-N
XLogP2.72
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-N-(2,4-dichlorophenyl)-1-methylcyclopropane-1-carboxamide
CID 43004730
N-(2,4-dichlorophenyl)-4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
CID 4628369
3-amino-N-(2,4-dichlorophenyl)oxolane-3-carboxamide
CID 64892685
N-(2,4-dichlorophenyl)-3-methylbut-2-enamide
CID 19177474
N-(2,4-dichlorophenyl)propanamide
CID 923083
(1R,4S)-N-(2,4-dichlorophenyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 98138048
(Z)-4-(2,4-dichloroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 63266947
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
1-(2,4-dichlorophenyl)-3-hydroxyurea
CID 4295489
(1R,4S)-N-(2,4-dichlorophenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 98086138
2,2-dichloro-N-(2,4-dichlorophenyl)propanamide
CID 521736
N-(2,4-dichlorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971732

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-dichlorophenyl)-2-methyloxirane-2-carboxamide?
The IUPAC name of (2R)-N-(2,4-dichlorophenyl)-2-methyloxirane-2-carboxamide (CID 7067086) is (2R)-N-(2,4-dichlorophenyl)-2-methyloxirane-2-carboxamide.
What is the SMILES notation for (2R)-N-(2,4-dichlorophenyl)-2-methyloxirane-2-carboxamide?
The canonical SMILES for (2R)-N-(2,4-dichlorophenyl)-2-methyloxirane-2-carboxamide is C[C@]1(C(=O)Nc2ccc(Cl)cc2Cl)CO1.
What is the InChIKey of (2R)-N-(2,4-dichlorophenyl)-2-methyloxirane-2-carboxamide?
The InChIKey is KITMQUMEHMRUPB-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c1-10(5-15-10)9(14)13-8-3-2-6(11)4-7(8)12/h2-4H,5H2,1H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-N-(2,4-dichlorophenyl)-2-methyloxirane-2-carboxamide?
(2R)-N-(2,4-dichlorophenyl)-2-methyloxirane-2-carboxamide has a molecular weight of 246.09 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-dichlorophenyl)-2-methyloxirane-2-carboxamide is sourced from PubChem (CID 7067086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).