N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide

C19H22ClNO3 — CID 4939762

IUPACN-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
SMILESCCCCOc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO3/c1-3-4-13-23-17-11-7-16(8-12-17)21-19(22)14(2)24-18-9-5-15(20)6-10-18/h5-12,14H,3-4,13H2,1-2H3,(H,21,22)
InChIKeyGPYAAVMSVYYNFO-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.92
Rot. Bonds8

About N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide

N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide (PubChem CID 4939762) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
PubChem CID4939762
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC NameN-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
SMILESCCCCOc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO3/c1-3-4-13-23-17-11-7-16(8-12-17)21-19(22)14(2)24-18-9-5-15(20)6-10-18/h5-12,14H,3-4,13H2,1-2H3,(H,21,22)
InChIKeyGPYAAVMSVYYNFO-UHFFFAOYSA-N
XLogP4.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.92
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-chlorophenyl)-2-(4-propoxyphenoxy)propanamide
CID 67473723
2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
CID 4958215
(2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 8757338
N-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953734
2-(4-chlorophenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide
CID 17130174
2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 4940648
(2R)-N-(4-hexoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 8757311
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
2-(4-ethylphenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4953412
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935
2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4951504
2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4944300

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide?
The IUPAC name of N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide (CID 4939762) is N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide.
What is the SMILES notation for N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide?
The canonical SMILES for N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide is CCCCOc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide?
The InChIKey is GPYAAVMSVYYNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-3-4-13-23-17-11-7-16(8-12-17)21-19(22)14(2)24-18-9-5-15(20)6-10-18/h5-12,14H,3-4,13H2,1-2H3,(H,21,22).
What are the key properties of N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide?
N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide has a molecular weight of 347.84 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide is sourced from PubChem (CID 4939762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).