2-(2-chlorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one

C15H21ClN2O2 — CID 6467230

IUPAC2-(2-chlorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
SMILESCC(Oc1ccccc1Cl)C(=O)N1CCCN(C)CC1
InChIInChI=1S/C15H21ClN2O2/c1-12(20-14-7-4-3-6-13(14)16)15(19)18-9-5-8-17(2)10-11-18/h3-4,6-7,12H,5,8-11H2,1-2H3
InChIKeyHAWZFOWNEJPNSA-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.27
Rot. Bonds3

About 2-(2-chlorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one

2-(2-chlorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one (PubChem CID 6467230) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
PubChem CID6467230
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-(2-chlorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
SMILESCC(Oc1ccccc1Cl)C(=O)N1CCCN(C)CC1
InChIInChI=1S/C15H21ClN2O2/c1-12(20-14-7-4-3-6-13(14)16)15(19)18-9-5-8-17(2)10-11-18/h3-4,6-7,12H,5,8-11H2,1-2H3
InChIKeyHAWZFOWNEJPNSA-UHFFFAOYSA-N
XLogP2.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Chlorophenoxy)-N-(2-(diethylamino)ethyl)acetamide
CID 28554
2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 2422308
Acetamide, 2-(2,4-dichlorophenoxy)-N-(2-(diethylamino)ethyl)-
CID 206267
2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 1571645
2-(2-Chloro-4-fluorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 6468965
1-(4-Methyl-1,4-diazepan-1-yl)-2-phenoxyethanone
CID 17148763
1-((2-Chlorophenoxy)acetyl)piperazine
CID 3481726
4-[2-(2-Chlorophenoxy)propanoyl]morpholine
CID 3620543
1-[(2,4-Dichlorophenoxy)acetyl]pyrrolidine
CID 544487
Acetamide, 2-(p-chlorophenoxy)-N-(3-(dimethylamino)propyl)-
CID 121036
Acetamide, 2-(4-chlorophenoxy)-N-(2-(diethylamino)ethyl)-, hydrochloride (1:1)
CID 197791
4-[2-(2,4-Dichloro-phenoxy)-acetyl]-piperazine-1-carboxylic acid ethyl ester
CID 649610

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one?
The IUPAC name of 2-(2-chlorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one (CID 6467230) is 2-(2-chlorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one?
The canonical SMILES for 2-(2-chlorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one is CC(Oc1ccccc1Cl)C(=O)N1CCCN(C)CC1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one?
The InChIKey is HAWZFOWNEJPNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-12(20-14-7-4-3-6-13(14)16)15(19)18-9-5-8-17(2)10-11-18/h3-4,6-7,12H,5,8-11H2,1-2H3.
What are the key properties of 2-(2-chlorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one?
2-(2-chlorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one has a molecular weight of 296.80 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one is sourced from PubChem (CID 6467230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).