2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide

C18H20ClNO2 — CID 2788084

IUPAC2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2C)c(C)c1
InChIInChI=1S/C18H20ClNO2/c1-11-5-7-16(12(2)9-11)20-18(21)14(4)22-17-8-6-15(19)10-13(17)3/h5-10,14H,1-4H3,(H,20,21)
InChIKeyQZPWSWYNZOFEPZ-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.67
Rot. Bonds4

About 2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide

2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide (PubChem CID 2788084) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide
PubChem CID2788084
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2C)c(C)c1
InChIInChI=1S/C18H20ClNO2/c1-11-5-7-16(12(2)9-11)20-18(21)14(4)22-17-8-6-15(19)10-13(17)3/h5-10,14H,1-4H3,(H,20,21)
InChIKeyQZPWSWYNZOFEPZ-UHFFFAOYSA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
(2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dimethylphenoxy)propanamide
CID 1019961
(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
(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 9172968
N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 53266190
(2R)-2-(4-chloro-2-methylphenoxy)-N-(2-fluorophenyl)propanamide
CID 724043
ethyl 4-[2-(2,4-dimethylphenoxy)propanoylamino]-3-methylbenzoate
CID 132653607
(2R)-N-(3,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 9173713
N-(2-aminophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 16781926
(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide (CID 2788084) is 2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2C)c(C)c1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is QZPWSWYNZOFEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-11-5-7-16(12(2)9-11)20-18(21)14(4)22-17-8-6-15(19)10-13(17)3/h5-10,14H,1-4H3,(H,20,21).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide?
2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 317.82 g/mol, XLogP of 4.67, 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-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 2788084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).