2-[4-[[(2R)-2-(2-chlorophenyl)azepan-1-yl]methyl]-2-methoxyphenoxy]acetamide

C22H27ClN2O3 — CID 92878144

IUPAC2-[4-[[(2R)-2-(2-chlorophenyl)azepan-1-yl]methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CN2CCCCC[C@@H]2c2ccccc2Cl)ccc1OCC(N)=O
InChIInChI=1S/C22H27ClN2O3/c1-27-21-13-16(10-11-20(21)28-15-22(24)26)14-25-12-6-2-3-9-19(25)17-7-4-5-8-18(17)23/h4-5,7-8,10-11,13,19H,2-3,6,9,12,14-15H2,1H3,(H2,24,26)/t19-/m1/s1
InChIKeyRDWXHMKITLLLOX-LJQANCHMSA-N
MW402.92 g/mol
LogP4.33
Rot. Bonds7

About 2-[4-[[(2R)-2-(2-chlorophenyl)azepan-1-yl]methyl]-2-methoxyphenoxy]acetamide

2-[4-[[(2R)-2-(2-chlorophenyl)azepan-1-yl]methyl]-2-methoxyphenoxy]acetamide (PubChem CID 92878144) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is 2-[4-[[(2R)-2-(2-chlorophenyl)azepan-1-yl]methyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[(2R)-2-(2-chlorophenyl)azepan-1-yl]methyl]-2-methoxyphenoxy]acetamide
PubChem CID92878144
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC Name2-[4-[[(2R)-2-(2-chlorophenyl)azepan-1-yl]methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CN2CCCCC[C@@H]2c2ccccc2Cl)ccc1OCC(N)=O
InChIInChI=1S/C22H27ClN2O3/c1-27-21-13-16(10-11-20(21)28-15-22(24)26)14-25-12-6-2-3-9-19(25)17-7-4-5-8-18(17)23/h4-5,7-8,10-11,13,19H,2-3,6,9,12,14-15H2,1H3,(H2,24,26)/t19-/m1/s1
InChIKeyRDWXHMKITLLLOX-LJQANCHMSA-N
XLogP4.33
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxy-4-[[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 95813466
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide
CID 22779364
2-(2-chlorophenyl)-1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]piperazine
CID 120768816
2-[2-methoxy-4-[[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 95813471
2-[2-methoxy-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
CID 131923008
(2S)-1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2-pyridin-4-ylazepane
CID 97252903
2-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]azepane
CID 116638601
benzyl 1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 13154144
1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]piperidine-2-carboxylic acid
CID 122040520
2-[4-[[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2-methoxyphenoxy]acetamide
CID 46966024
2-[2-ethoxy-4-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 50809493
5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129006816

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R)-2-(2-chlorophenyl)azepan-1-yl]methyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[[(2R)-2-(2-chlorophenyl)azepan-1-yl]methyl]-2-methoxyphenoxy]acetamide (CID 92878144) is 2-[4-[[(2R)-2-(2-chlorophenyl)azepan-1-yl]methyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[[(2R)-2-(2-chlorophenyl)azepan-1-yl]methyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[[(2R)-2-(2-chlorophenyl)azepan-1-yl]methyl]-2-methoxyphenoxy]acetamide is COc1cc(CN2CCCCC[C@@H]2c2ccccc2Cl)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-[[(2R)-2-(2-chlorophenyl)azepan-1-yl]methyl]-2-methoxyphenoxy]acetamide?
The InChIKey is RDWXHMKITLLLOX-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-27-21-13-16(10-11-20(21)28-15-22(24)26)14-25-12-6-2-3-9-19(25)17-7-4-5-8-18(17)23/h4-5,7-8,10-11,13,19H,2-3,6,9,12,14-15H2,1H3,(H2,24,26)/t19-/m1/s1.
What are the key properties of 2-[4-[[(2R)-2-(2-chlorophenyl)azepan-1-yl]methyl]-2-methoxyphenoxy]acetamide?
2-[4-[[(2R)-2-(2-chlorophenyl)azepan-1-yl]methyl]-2-methoxyphenoxy]acetamide has a molecular weight of 402.92 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-2-(2-chlorophenyl)azepan-1-yl]methyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 92878144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).