N-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide

C20H21ClN2O3 — CID 55713615

IUPACN-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O3/c1-14(16-6-8-17(21)9-7-16)23-20(24)4-3-11-26-18-10-5-15(13-22)12-19(18)25-2/h5-10,12,14H,3-4,11H2,1-2H3,(H,23,24)
InChIKeyXHDIUKLDXKRFCJ-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.26
Rot. Bonds8

About N-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide

N-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide (PubChem CID 55713615) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide
PubChem CID55713615
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O3/c1-14(16-6-8-17(21)9-7-16)23-20(24)4-3-11-26-18-10-5-15(13-22)12-19(18)25-2/h5-10,12,14H,3-4,11H2,1-2H3,(H,23,24)
InChIKeyXHDIUKLDXKRFCJ-UHFFFAOYSA-N
XLogP4.26
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8977221
4-chloro-N-[1-(4-cyanophenyl)ethyl]butanamide
CID 63307623
3-(4-cyanophenyl)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide
CID 46414728
4-(4-cyano-2-methoxyphenoxy)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-yl]butanamide
CID 71685323
4-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide
CID 132652702
4-(4-cyano-2-methoxyphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 55719091
3-(4-chlorophenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
CID 51947174
4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 78789106
4-(4-cyano-2-methoxyphenoxy)-N-(1H-pyrazol-5-yl)butanamide
CID 47835221
4-(4-acetylphenoxy)-N-[1-(4-cyanophenyl)ethyl]butanamide
CID 134035078
1-[(5-chloro-2-methoxyphenyl)methyl]-3-[1-(4-cyanophenyl)ethyl]urea
CID 86996997
2-(4-cyano-2-methoxyphenoxy)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 9459191

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide (CID 55713615) is N-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide is COc1cc(C#N)ccc1OCCCC(=O)NC(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide?
The InChIKey is XHDIUKLDXKRFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-14(16-6-8-17(21)9-7-16)23-20(24)4-3-11-26-18-10-5-15(13-22)12-19(18)25-2/h5-10,12,14H,3-4,11H2,1-2H3,(H,23,24).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide?
N-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide has a molecular weight of 372.85 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide is sourced from PubChem (CID 55713615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).