N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)propanamide

C19H22ClNO2 — CID 133211038

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NCCc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C19H22ClNO2/c1-13-4-9-18(14(2)12-13)23-15(3)19(22)21-11-10-16-5-7-17(20)8-6-16/h4-9,12,15H,10-11H2,1-3H3,(H,21,22)
InChIKeyMHDUMUYFQMLGKS-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.08
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)propanamide

N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)propanamide (PubChem CID 133211038) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)propanamide
PubChem CID133211038
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NCCc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C19H22ClNO2/c1-13-4-9-18(14(2)12-13)23-15(3)19(22)21-11-10-16-5-7-17(20)8-6-16/h4-9,12,15H,10-11H2,1-3H3,(H,21,22)
InChIKeyMHDUMUYFQMLGKS-UHFFFAOYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-chloro-2-methylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 8709012
2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4198833
(2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 99950551
(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 93487077
(2S)-N-[2-(4-propan-2-ylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680909
(2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680001
2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 3120270
2-(2,4-dimethylphenoxy)-N-(2,2-dimethylpropyl)propanamide
CID 18724643
1-(4-chlorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one
CID 43411892
2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 2788084
N-[(4-chlorophenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133235431
(2R)-2-(4-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 51532938

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)propanamide (CID 133211038) is N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)NCCc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)propanamide?
The InChIKey is MHDUMUYFQMLGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-13-4-9-18(14(2)12-13)23-15(3)19(22)21-11-10-16-5-7-17(20)8-6-16/h4-9,12,15H,10-11H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)propanamide?
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)propanamide has a molecular weight of 331.84 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 133211038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).