N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]propanamide;hydrochloride

C15H21Cl3N2O2 — CID 66975759

IUPACN-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]propanamide;hydrochloride
SMILESCCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C15H20Cl2N2O2.ClH/c1-2-14(20)19-9-11-8-18-5-6-21-15(11)10-3-4-12(16)13(17)7-10;/h3-4,7,11,15,18H,2,5-6,8-9H2,1H3,(H,19,20);1H/t11-,15-;/m0./s1
InChIKeyXBSKGSWBOBJPLU-JDOFTSHGSA-N
MW367.70 g/mol
LogP3.22
Rot. Bonds4

About N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]propanamide;hydrochloride

N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]propanamide;hydrochloride (PubChem CID 66975759) has the molecular formula C15H21Cl3N2O2 and a molecular weight of 367.70 g/mol. Its IUPAC name is N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]propanamide;hydrochloride
PubChem CID66975759
Molecular FormulaC15H21Cl3N2O2
Molecular Weight367.70 g/mol
Exact Mass366.07
IUPAC NameN-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]propanamide;hydrochloride
SMILESCCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C15H20Cl2N2O2.ClH/c1-2-14(20)19-9-11-8-18-5-6-21-15(11)10-3-4-12(16)13(17)7-10;/h3-4,7,11,15,18H,2,5-6,8-9H2,1H3,(H,19,20);1H/t11-,15-;/m0./s1
InChIKeyXBSKGSWBOBJPLU-JDOFTSHGSA-N
XLogP3.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.70
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]propanamide;hydrochloride?
The IUPAC name of N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]propanamide;hydrochloride (CID 66975759) is N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]propanamide;hydrochloride is CCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]propanamide;hydrochloride?
The InChIKey is XBSKGSWBOBJPLU-JDOFTSHGSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2.ClH/c1-2-14(20)19-9-11-8-18-5-6-21-15(11)10-3-4-12(16)13(17)7-10;/h3-4,7,11,15,18H,2,5-6,8-9H2,1H3,(H,19,20);1H/t11-,15-;/m0./s1.
What are the key properties of N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]propanamide;hydrochloride?
N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]propanamide;hydrochloride has a molecular weight of 367.70 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 66975759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).