2-[2-(azepane-1-carbonyl)phenoxy]-N-(3-chloro-4-methoxyphenyl)acetamide

C22H25ClN2O4 — CID 17466964

IUPAC2-[2-(azepane-1-carbonyl)phenoxy]-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccccc2C(=O)N2CCCCCC2)cc1Cl
InChIInChI=1S/C22H25ClN2O4/c1-28-20-11-10-16(14-18(20)23)24-21(26)15-29-19-9-5-4-8-17(19)22(27)25-12-6-2-3-7-13-25/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,24,26)
InChIKeyUHXKOCHUFVDJFU-UHFFFAOYSA-N
MW416.91 g/mol
LogP4.38
Rot. Bonds6

About 2-[2-(azepane-1-carbonyl)phenoxy]-N-(3-chloro-4-methoxyphenyl)acetamide

2-[2-(azepane-1-carbonyl)phenoxy]-N-(3-chloro-4-methoxyphenyl)acetamide (PubChem CID 17466964) has the molecular formula C22H25ClN2O4 and a molecular weight of 416.91 g/mol. Its IUPAC name is 2-[2-(azepane-1-carbonyl)phenoxy]-N-(3-chloro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(azepane-1-carbonyl)phenoxy]-N-(3-chloro-4-methoxyphenyl)acetamide
PubChem CID17466964
Molecular FormulaC22H25ClN2O4
Molecular Weight416.91 g/mol
Exact Mass416.15
IUPAC Name2-[2-(azepane-1-carbonyl)phenoxy]-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccccc2C(=O)N2CCCCCC2)cc1Cl
InChIInChI=1S/C22H25ClN2O4/c1-28-20-11-10-16(14-18(20)23)24-21(26)15-29-19-9-5-4-8-17(19)22(27)25-12-6-2-3-7-13-25/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,24,26)
InChIKeyUHXKOCHUFVDJFU-UHFFFAOYSA-N
XLogP4.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 2712886
N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4937891
N-(3-chloro-4-methoxyphenyl)-2-(2-ethylphenoxy)acetamide
CID 2709417
N-(3-chloro-4-methoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942046
N-(3-chloro-4-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
CID 17251065
[2-(ethylamino)-2-oxoethyl] 2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]benzoate
CID 2705826
2-(2-chloro-4-fluorophenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 46419749
N-(3-chloro-4-methoxyphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 60536287
N-[2-(azepane-1-carbonyl)phenyl]-2-(4-bromo-2-chlorophenoxy)acetamide
CID 4937939
4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397187
2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoic acid
CID 4671678
N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
CID 126246243

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azepane-1-carbonyl)phenoxy]-N-(3-chloro-4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(azepane-1-carbonyl)phenoxy]-N-(3-chloro-4-methoxyphenyl)acetamide (CID 17466964) is 2-[2-(azepane-1-carbonyl)phenoxy]-N-(3-chloro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(azepane-1-carbonyl)phenoxy]-N-(3-chloro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(azepane-1-carbonyl)phenoxy]-N-(3-chloro-4-methoxyphenyl)acetamide is COc1ccc(NC(=O)COc2ccccc2C(=O)N2CCCCCC2)cc1Cl.
What is the InChIKey of 2-[2-(azepane-1-carbonyl)phenoxy]-N-(3-chloro-4-methoxyphenyl)acetamide?
The InChIKey is UHXKOCHUFVDJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O4/c1-28-20-11-10-16(14-18(20)23)24-21(26)15-29-19-9-5-4-8-17(19)22(27)25-12-6-2-3-7-13-25/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,24,26).
What are the key properties of 2-[2-(azepane-1-carbonyl)phenoxy]-N-(3-chloro-4-methoxyphenyl)acetamide?
2-[2-(azepane-1-carbonyl)phenoxy]-N-(3-chloro-4-methoxyphenyl)acetamide has a molecular weight of 416.91 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azepane-1-carbonyl)phenoxy]-N-(3-chloro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 17466964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).