N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide

C20H23ClN2O2 — CID 7582236

IUPACN-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C20H23ClN2O2/c21-18-7-3-4-8-19(18)25-15-20(24)22-16-9-11-17(12-10-16)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-15H2,(H,22,24)
InChIKeyZAYFANJGNMUFDV-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.74
Rot. Bonds5

About N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide

N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide (PubChem CID 7582236) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
PubChem CID7582236
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C20H23ClN2O2/c21-18-7-3-4-8-19(18)25-15-20(24)22-16-9-11-17(12-10-16)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-15H2,(H,22,24)
InChIKeyZAYFANJGNMUFDV-UHFFFAOYSA-N
XLogP4.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922500
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575
N-[4-(azepan-1-yl)phenyl]-2-(2-formylphenoxy)acetamide
CID 9009767
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
N-[2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethoxy]phenyl]benzamide
CID 67124692
2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 822273
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1245566
2-(2-chlorophenoxy)-N-(4-phenylphenyl)acetamide
CID 7926033
4-chloro-2-[2-oxo-2-(4-piperidin-1-ylanilino)ethoxy]benzamide
CID 60601304
2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922496
N'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108954901
3-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 108802305

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide?
The IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide (CID 7582236) is N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide?
The canonical SMILES for N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide is O=C(COc1ccccc1Cl)Nc1ccc(N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide?
The InChIKey is ZAYFANJGNMUFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c21-18-7-3-4-8-19(18)25-15-20(24)22-16-9-11-17(12-10-16)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-15H2,(H,22,24).
What are the key properties of N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide?
N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide has a molecular weight of 358.87 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide is sourced from PubChem (CID 7582236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).