2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide

C19H22ClNO3 — CID 4940648

IUPAC2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
SMILESCC(C)COc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO3/c1-13(2)12-23-17-10-6-16(7-11-17)21-19(22)14(3)24-18-8-4-15(20)5-9-18/h4-11,13-14H,12H2,1-3H3,(H,21,22)
InChIKeyCBYHHYRQYQSAOI-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.78
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide

2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide (PubChem CID 4940648) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
PubChem CID4940648
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
SMILESCC(C)COc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO3/c1-13(2)12-23-17-10-6-16(7-11-17)21-19(22)14(3)24-18-8-4-15(20)5-9-18/h4-11,13-14H,12H2,1-3H3,(H,21,22)
InChIKeyCBYHHYRQYQSAOI-UHFFFAOYSA-N
XLogP4.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
(2S)-2-(4-ethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 9237321
N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
CID 4939762
N-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide
CID 67473723
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935
2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
CID 4958215
2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4944300
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
(2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 8757745
(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 9233741
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide (CID 4940648) is 2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide is CC(C)COc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide?
The InChIKey is CBYHHYRQYQSAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-13(2)12-23-17-10-6-16(7-11-17)21-19(22)14(3)24-18-8-4-15(20)5-9-18/h4-11,13-14H,12H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide?
2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide has a molecular weight of 347.84 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide is sourced from PubChem (CID 4940648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).