2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

C16H23ClN2O3 — CID 6469154

IUPAC2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN2CCCCCC2)c(OC)cc1Cl
InChIInChI=1S/C16H23ClN2O3/c1-21-14-10-13(15(22-2)9-12(14)17)18-16(20)11-19-7-5-3-4-6-8-19/h9-10H,3-8,11H2,1-2H3,(H,18,20)
InChIKeyBAEBHJRWLKLWSY-UHFFFAOYSA-N
MW326.82 g/mol
LogP3.17
Rot. Bonds5

About 2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (PubChem CID 6469154) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
PubChem CID6469154
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN2CCCCCC2)c(OC)cc1Cl
InChIInChI=1S/C16H23ClN2O3/c1-21-14-10-13(15(22-2)9-12(14)17)18-16(20)11-19-7-5-3-4-6-8-19/h9-10H,3-8,11H2,1-2H3,(H,18,20)
InChIKeyBAEBHJRWLKLWSY-UHFFFAOYSA-N
XLogP3.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 34424370
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]acetamide
CID 55864288
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetamide
CID 24617573
4-chloro-N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide
CID 3195251
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 17378547
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195930
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 24566664
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919693
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22195344
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide
CID 6469434
N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-fluorobenzamide chloride
CID 53352634

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (CID 6469154) is 2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)CN2CCCCCC2)c(OC)cc1Cl.
What is the InChIKey of 2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The InChIKey is BAEBHJRWLKLWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-21-14-10-13(15(22-2)9-12(14)17)18-16(20)11-19-7-5-3-4-6-8-19/h9-10H,3-8,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide has a molecular weight of 326.82 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 6469154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).