2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride

C20H24ClN2O2- — CID 53350713

IUPAC2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
SMILESO=C(CN1CCCCCC1)Nc1ccc(Oc2ccccc2)cc1.[Cl-]
InChIInChI=1S/C20H24N2O2.ClH/c23-20(16-22-14-6-1-2-7-15-22)21-17-10-12-19(13-11-17)24-18-8-4-3-5-9-18;/h3-5,8-13H,1-2,6-7,14-16H2,(H,21,23);1H/p-1
InChIKeyGFFODPBTXFODPH-UHFFFAOYSA-M
MW359.88 g/mol
LogP1.30
Rot. Bonds5

About 2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride

2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride (PubChem CID 53350713) has the molecular formula C20H24ClN2O2- and a molecular weight of 359.88 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
PubChem CID53350713
Molecular FormulaC20H24ClN2O2-
Molecular Weight359.88 g/mol
Exact Mass359.15
IUPAC Name2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
SMILESO=C(CN1CCCCCC1)Nc1ccc(Oc2ccccc2)cc1.[Cl-]
InChIInChI=1S/C20H24N2O2.ClH/c23-20(16-22-14-6-1-2-7-15-22)21-17-10-12-19(13-11-17)24-18-8-4-3-5-9-18;/h3-5,8-13H,1-2,6-7,14-16H2,(H,21,23);1H/p-1
InChIKeyGFFODPBTXFODPH-UHFFFAOYSA-M
XLogP1.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
N-[4-(4-chlorophenoxy)phenyl]-2-piperidin-1-ylacetamide;oxalic acid
CID 71374350
2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 9223614
N-(4-phenoxyphenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 46666451
4-[[3-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-diazinan-1-yl]methyl]benzoic acid
CID 69398960
N-(2-methyl-4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 3046004
1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 16909376
2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54814562
3-piperidin-1-ylpropyl N-(4-phenoxyphenyl)carbamate
CID 11035624
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
N-[4-(2-oxochromen-4-yl)oxyphenyl]-2-piperidin-1-ylacetamide
CID 155550891
2-(azepan-1-yl)-N-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetamide
CID 139794434

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride?
The IUPAC name of 2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride (CID 53350713) is 2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride.
What is the SMILES notation for 2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride?
The canonical SMILES for 2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride is O=C(CN1CCCCCC1)Nc1ccc(Oc2ccccc2)cc1.[Cl-].
What is the InChIKey of 2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride?
The InChIKey is GFFODPBTXFODPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H24N2O2.ClH/c23-20(16-22-14-6-1-2-7-15-22)21-17-10-12-19(13-11-17)24-18-8-4-3-5-9-18;/h3-5,8-13H,1-2,6-7,14-16H2,(H,21,23);1H/p-1.
What are the key properties of 2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride?
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride has a molecular weight of 359.88 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride is sourced from PubChem (CID 53350713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).