N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide

C12H15Cl2NO2 — CID 63391336

IUPACN-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)N(C)CCCl
InChIInChI=1S/C12H15Cl2NO2/c1-9(12(16)15(2)7-6-13)17-11-5-3-4-10(14)8-11/h3-5,8-9H,6-7H2,1-2H3
InChIKeyMDQNVQHKOFSVRH-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.80
Rot. Bonds5

About N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide

N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide (PubChem CID 63391336) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide
PubChem CID63391336
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC NameN-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)N(C)CCCl
InChIInChI=1S/C12H15Cl2NO2/c1-9(12(16)15(2)7-6-13)17-11-5-3-4-10(14)8-11/h3-5,8-9H,6-7H2,1-2H3
InChIKeyMDQNVQHKOFSVRH-UHFFFAOYSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide
CID 134058549
3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 55110390
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
(2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide
CID 897565
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(3-chlorophenoxy)-N-methylpropanamide
CID 76937574
(3R)-3-(3-chlorophenoxy)butan-2-one
CID 1489403
2-(3-chlorophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)propanamide
CID 79700188
(2R)-2-(3-chlorophenoxy)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylpropanamide
CID 96533228
(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 61165412
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
2-[2-(3-chlorophenoxy)propanoyl-(2-methylpropyl)amino]acetic acid
CID 62034436

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide?
The IUPAC name of N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide (CID 63391336) is N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide.
What is the SMILES notation for N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide?
The canonical SMILES for N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide is CC(Oc1cccc(Cl)c1)C(=O)N(C)CCCl.
What is the InChIKey of N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide?
The InChIKey is MDQNVQHKOFSVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-9(12(16)15(2)7-6-13)17-11-5-3-4-10(14)8-11/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide?
N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide has a molecular weight of 276.16 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide is sourced from PubChem (CID 63391336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).