N-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide

C18H20ClNO3 — CID 67473723

IUPACN-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide
SMILESCCCOc1ccc(OC(C)C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO3/c1-3-12-22-16-8-10-17(11-9-16)23-13(2)18(21)20-15-6-4-14(19)5-7-15/h4-11,13H,3,12H2,1-2H3,(H,20,21)
InChIKeyNXYSCOVJLMLAPC-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.53
Rot. Bonds7

About N-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide

N-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide (PubChem CID 67473723) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide
PubChem CID67473723
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide
SMILESCCCOc1ccc(OC(C)C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO3/c1-3-12-22-16-8-10-17(11-9-16)23-13(2)18(21)20-15-6-4-14(19)5-7-15/h4-11,13H,3,12H2,1-2H3,(H,20,21)
InChIKeyNXYSCOVJLMLAPC-UHFFFAOYSA-N
XLogP4.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
CID 4939762
2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
CID 4958215
2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 4940648
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide
CID 4981442
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935
2-(4-chlorophenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide
CID 17130174
(2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 8757338
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)-N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenoxy)propanamide
CID 7935749

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide (CID 67473723) is N-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide is CCCOc1ccc(OC(C)C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide?
The InChIKey is NXYSCOVJLMLAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-3-12-22-16-8-10-17(11-9-16)23-13(2)18(21)20-15-6-4-14(19)5-7-15/h4-11,13H,3,12H2,1-2H3,(H,20,21).
What are the key properties of N-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide?
N-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide has a molecular weight of 333.82 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide is sourced from PubChem (CID 67473723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).