N-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide

C19H22ClNO3 — CID 19184672

IUPACN-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide
SMILESCCc1ccc(OCCCC(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C19H22ClNO3/c1-3-14-6-9-16(10-7-14)24-12-4-5-19(22)21-17-13-15(20)8-11-18(17)23-2/h6-11,13H,3-5,12H2,1-2H3,(H,21,22)
InChIKeyLVISOGOZTLKLNR-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.71
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide

N-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide (PubChem CID 19184672) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide
PubChem CID19184672
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide
SMILESCCc1ccc(OCCCC(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C19H22ClNO3/c1-3-14-6-9-16(10-7-14)24-12-4-5-19(22)21-17-13-15(20)8-11-18(17)23-2/h6-11,13H,3-5,12H2,1-2H3,(H,21,22)
InChIKeyLVISOGOZTLKLNR-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
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-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide
CID 19176294
1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea
CID 4055904
N-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide
CID 4733029
N-(2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide
CID 19191443
N-(2-bromo-4-ethylphenyl)-4-(4-chlorophenoxy)butanamide
CID 53268050
N-(5-chloro-2-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55906615
pentyl 5-(5-chloro-2-methoxyanilino)-5-oxopentanoate
CID 91722639
5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide
CID 103601683
N-(5-chloro-2-methoxyphenyl)-4-(4-methoxy-3-methylphenyl)butanamide
CID 838505
2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 4733171
nonyl 5-(5-chloro-2-methoxyanilino)-5-oxopentanoate
CID 91722643
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide
CID 19191445

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide (CID 19184672) is N-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide is CCc1ccc(OCCCC(=O)Nc2cc(Cl)ccc2OC)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide?
The InChIKey is LVISOGOZTLKLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-3-14-6-9-16(10-7-14)24-12-4-5-19(22)21-17-13-15(20)8-11-18(17)23-2/h6-11,13H,3-5,12H2,1-2H3,(H,21,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide?
N-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide has a molecular weight of 347.84 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide is sourced from PubChem (CID 19184672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).