(2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide

C11H13Cl2NO2 — CID 97358977

IUPAC(2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide
SMILESCC[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC
InChIInChI=1S/C11H13Cl2NO2/c1-3-10(11(15)14-2)16-7-4-5-8(12)9(13)6-7/h4-6,10H,3H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyCWZMYVACWFQQKV-SNVBAGLBSA-N
MW262.14 g/mol
LogP2.90
Rot. Bonds4

About (2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide

(2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide (PubChem CID 97358977) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is (2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide
PubChem CID97358977
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name(2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide
SMILESCC[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC
InChIInChI=1S/C11H13Cl2NO2/c1-3-10(11(15)14-2)16-7-4-5-8(12)9(13)6-7/h4-6,10H,3H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyCWZMYVACWFQQKV-SNVBAGLBSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-(2,3-dichlorophenoxy)acetamide
CID 2602935
2-(4-chlorophenoxy)-N-cyclopentylbutanamide
CID 6473403
Acetamide, 2-(p-chlorophenoxy)-N-(3-(dimethylamino)propyl)-
CID 121036
Acetamide, 2-(4-chlorophenoxy)-N-(2-(diethylamino)ethyl)-, hydrochloride (1:1)
CID 197791
2-{[2-(3,4-Dichlorophenoxy)ethyl]amino}ethanol hydrochloride
CID 2923917
[2-(3,4-Dichlorophenoxy)ethyl]methylamine oxalate
CID 2949404
2-(2,4-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 4995082
2-(3,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 36998178
2-(3,4-dichlorophenoxy)-N-hydroxyacetamide
CID 145984790
2-(4-chlorophenoxy)-N-cyclopropylacetamide
CID 2899705
2-(2,4-dichlorophenoxy)-N-ethylpropanamide
CID 2912929
2-(3-Chlorophenoxy)propionamide
CID 22078

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide?
The IUPAC name of (2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide (CID 97358977) is (2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide.
What is the SMILES notation for (2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide?
The canonical SMILES for (2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide is CC[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC.
What is the InChIKey of (2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide?
The InChIKey is CWZMYVACWFQQKV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-3-10(11(15)14-2)16-7-4-5-8(12)9(13)6-7/h4-6,10H,3H2,1-2H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide?
(2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide has a molecular weight of 262.14 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide is sourced from PubChem (CID 97358977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).