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

C20H25ClN2O3 — CID 112503361

IUPACN-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC(c1ccco1)N1CCCCCC1
InChIInChI=1S/C20H25ClN2O3/c21-16-7-9-17(10-8-16)26-15-20(24)22-14-18(19-6-5-13-25-19)23-11-3-1-2-4-12-23/h5-10,13,18H,1-4,11-12,14-15H2,(H,22,24)
InChIKeyGUDWZWKNNUVCFR-UHFFFAOYSA-N
MW376.88 g/mol
LogP4.05
Rot. Bonds7

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

N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 112503361) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
PubChem CID112503361
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC NameN-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC(c1ccco1)N1CCCCCC1
InChIInChI=1S/C20H25ClN2O3/c21-16-7-9-17(10-8-16)26-15-20(24)22-14-18(19-6-5-13-25-19)23-11-3-1-2-4-12-23/h5-10,13,18H,1-4,11-12,14-15H2,(H,22,24)
InChIKeyGUDWZWKNNUVCFR-UHFFFAOYSA-N
XLogP4.05
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 41111766
2-(3,5-dimethylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride
CID 146052510
2-(4-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride
CID 146052569
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-chlorophenoxy)acetamide
CID 35042237
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methylphenoxy)acetamide
CID 26834283
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 40985997
2-(4-chlorophenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 26009692
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 110889268
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 25161656
2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylpropanamide
CID 42889442
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide
CID 51162656

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide (CID 112503361) is N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)NCC(c1ccco1)N1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is GUDWZWKNNUVCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c21-16-7-9-17(10-8-16)26-15-20(24)22-14-18(19-6-5-13-25-19)23-11-3-1-2-4-12-23/h5-10,13,18H,1-4,11-12,14-15H2,(H,22,24).
What are the key properties of N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide?
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 376.88 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 112503361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).