2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide

C22H27Cl2NO3 — CID 4951504

IUPAC2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide
SMILESCCCCCCCOc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H27Cl2NO3/c1-3-4-5-6-7-14-27-19-11-9-18(10-12-19)25-22(26)16(2)28-21-13-8-17(23)15-20(21)24/h8-13,15-16H,3-7,14H2,1-2H3,(H,25,26)
InChIKeyFAMQCIPILXZKQH-UHFFFAOYSA-N
MW424.37 g/mol
LogP6.75
Rot. Bonds11

About 2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide

2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide (PubChem CID 4951504) has the molecular formula C22H27Cl2NO3 and a molecular weight of 424.37 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide
PubChem CID4951504
Molecular FormulaC22H27Cl2NO3
Molecular Weight424.37 g/mol
Exact Mass423.14
IUPAC Name2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide
SMILESCCCCCCCOc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H27Cl2NO3/c1-3-4-5-6-7-14-27-19-11-9-18(10-12-19)25-22(26)16(2)28-21-13-8-17(23)15-20(21)24/h8-13,15-16H,3-7,14H2,1-2H3,(H,25,26)
InChIKeyFAMQCIPILXZKQH-UHFFFAOYSA-N
XLogP6.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.37
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
CID 4939762
methyl 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetate
CID 55709148
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237
2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide
CID 4981442
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
N-[2-(2,4-dichlorophenoxy)propyl]-4-hexoxyaniline
CID 54798821
2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42989366
N-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953734
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide (CID 4951504) is 2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide is CCCCCCCOc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide?
The InChIKey is FAMQCIPILXZKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2NO3/c1-3-4-5-6-7-14-27-19-11-9-18(10-12-19)25-22(26)16(2)28-21-13-8-17(23)15-20(21)24/h8-13,15-16H,3-7,14H2,1-2H3,(H,25,26).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide?
2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide has a molecular weight of 424.37 g/mol, XLogP of 6.75, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide is sourced from PubChem (CID 4951504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).