2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide

C17H17Cl2NO2 — CID 2791540

IUPAC2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)C(C)Oc1ccc(Cl)cc1C
InChIInChI=1S/C17H17Cl2NO2/c1-10-8-13(18)4-6-15(10)20-17(21)12(3)22-16-7-5-14(19)9-11(16)2/h4-9,12H,1-3H3,(H,20,21)
InChIKeyCFDKBCBPIIEJST-UHFFFAOYSA-N
MW338.23 g/mol
LogP5.02
Rot. Bonds4

About 2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide

2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide (PubChem CID 2791540) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
PubChem CID2791540
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)C(C)Oc1ccc(Cl)cc1C
InChIInChI=1S/C17H17Cl2NO2/c1-10-8-13(18)4-6-15(10)20-17(21)12(3)22-16-7-5-14(19)9-11(16)2/h4-9,12H,1-3H3,(H,20,21)
InChIKeyCFDKBCBPIIEJST-UHFFFAOYSA-N
XLogP5.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.23
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 2788084
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 1371714
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methyl-4-nitrophenyl)propanamide
CID 7082956
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422
(2R)-2-(4-chloro-2-methylphenoxy)-N-(2-fluorophenyl)propanamide
CID 724043
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 53266190
2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 2932686
2-[[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]-4,5-dimethoxybenzoic acid
CID 1287453
2-(4-chloro-2-methylphenoxy)-N-(2,4-dinitrophenyl)propanamide
CID 4158916
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2683063

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide (CID 2791540) is 2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide is Cc1cc(Cl)ccc1NC(=O)C(C)Oc1ccc(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide?
The InChIKey is CFDKBCBPIIEJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-10-8-13(18)4-6-15(10)20-17(21)12(3)22-16-7-5-14(19)9-11(16)2/h4-9,12H,1-3H3,(H,20,21).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide?
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide has a molecular weight of 338.23 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 2791540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).