2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide

C18H20ClNO3 — CID 53282264

IUPAC2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(C)NC(=O)C(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO3/c1-12(14-4-8-16(22-3)9-5-14)20-18(21)13(2)23-17-10-6-15(19)7-11-17/h4-13H,1-3H3,(H,20,21)
InChIKeyWFARHCFIVXBPTE-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.99
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide

2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 53282264) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide
PubChem CID53282264
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(C)NC(=O)C(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO3/c1-12(14-4-8-16(22-3)9-5-14)20-18(21)13(2)23-17-10-6-15(19)7-11-17/h4-13H,1-3H3,(H,20,21)
InChIKeyWFARHCFIVXBPTE-UHFFFAOYSA-N
XLogP3.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 99130919
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-chlorophenyl)ethyl]propanamide
CID 8751655
(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 92680833
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 2094690
(2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 94843875
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide
CID 8025361
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 94008271
(2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 93486457
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 92674006
(2R)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 7865722
2-(4-chlorophenoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133224959
(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 92671742

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide (CID 53282264) is 2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(C(C)NC(=O)C(C)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is WFARHCFIVXBPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-12(14-4-8-16(22-3)9-5-14)20-18(21)13(2)23-17-10-6-15(19)7-11-17/h4-13H,1-3H3,(H,20,21).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide?
2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 333.82 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 53282264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).