(6R,7R)-7-(3,4-dichlorophenyl)-N,N-dimethyl-1,4-oxazepane-6-carboxamide;hydrochloride

C14H19Cl3N2O2 — CID 66976242

IUPAC(6R,7R)-7-(3,4-dichlorophenyl)-N,N-dimethyl-1,4-oxazepane-6-carboxamide;hydrochloride
SMILESCN(C)C(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C14H18Cl2N2O2.ClH/c1-18(2)14(19)10-8-17-5-6-20-13(10)9-3-4-11(15)12(16)7-9;/h3-4,7,10,13,17H,5-6,8H2,1-2H3;1H/t10-,13+;/m1./s1
InChIKeyBXQHWNKKHXHIDQ-HTKOBJQYSA-N
MW353.68 g/mol
LogP2.78
Rot. Bonds2

About (6R,7R)-7-(3,4-dichlorophenyl)-N,N-dimethyl-1,4-oxazepane-6-carboxamide;hydrochloride

(6R,7R)-7-(3,4-dichlorophenyl)-N,N-dimethyl-1,4-oxazepane-6-carboxamide;hydrochloride (PubChem CID 66976242) has the molecular formula C14H19Cl3N2O2 and a molecular weight of 353.68 g/mol. Its IUPAC name is (6R,7R)-7-(3,4-dichlorophenyl)-N,N-dimethyl-1,4-oxazepane-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name(6R,7R)-7-(3,4-dichlorophenyl)-N,N-dimethyl-1,4-oxazepane-6-carboxamide;hydrochloride
PubChem CID66976242
Molecular FormulaC14H19Cl3N2O2
Molecular Weight353.68 g/mol
Exact Mass352.05
IUPAC Name(6R,7R)-7-(3,4-dichlorophenyl)-N,N-dimethyl-1,4-oxazepane-6-carboxamide;hydrochloride
SMILESCN(C)C(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C14H18Cl2N2O2.ClH/c1-18(2)14(19)10-8-17-5-6-20-13(10)9-3-4-11(15)12(16)7-9;/h3-4,7,10,13,17H,5-6,8H2,1-2H3;1H/t10-,13+;/m1./s1
InChIKeyBXQHWNKKHXHIDQ-HTKOBJQYSA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.68
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6R,7R)-7-(3,4-dichlorophenyl)-N,N-dimethyl-1,4-oxazepane-6-carboxamide;hydrochloride with MolForge

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Related Compounds

CID 66975764
CID 66975764
CID 122181874
CID 122181874
CID 162670802
CID 162670802
CID 66975003
CID 66975003
CID 66975073
CID 66975073
CID 66975290
CID 66975290
CID 66975647
CID 66975647
CID 66975759
CID 66975759
CID 66975947
CID 66975947
CID 66976631
CID 66976631
CID 66976746
CID 66976746
CID 122181876
CID 122181876

Frequently Asked Questions

What is the IUPAC name of (6R,7R)-7-(3,4-dichlorophenyl)-N,N-dimethyl-1,4-oxazepane-6-carboxamide;hydrochloride?
The IUPAC name of (6R,7R)-7-(3,4-dichlorophenyl)-N,N-dimethyl-1,4-oxazepane-6-carboxamide;hydrochloride (CID 66976242) is (6R,7R)-7-(3,4-dichlorophenyl)-N,N-dimethyl-1,4-oxazepane-6-carboxamide;hydrochloride.
What is the SMILES notation for (6R,7R)-7-(3,4-dichlorophenyl)-N,N-dimethyl-1,4-oxazepane-6-carboxamide;hydrochloride?
The canonical SMILES for (6R,7R)-7-(3,4-dichlorophenyl)-N,N-dimethyl-1,4-oxazepane-6-carboxamide;hydrochloride is CN(C)C(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of (6R,7R)-7-(3,4-dichlorophenyl)-N,N-dimethyl-1,4-oxazepane-6-carboxamide;hydrochloride?
The InChIKey is BXQHWNKKHXHIDQ-HTKOBJQYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2.ClH/c1-18(2)14(19)10-8-17-5-6-20-13(10)9-3-4-11(15)12(16)7-9;/h3-4,7,10,13,17H,5-6,8H2,1-2H3;1H/t10-,13+;/m1./s1.
What are the key properties of (6R,7R)-7-(3,4-dichlorophenyl)-N,N-dimethyl-1,4-oxazepane-6-carboxamide;hydrochloride?
(6R,7R)-7-(3,4-dichlorophenyl)-N,N-dimethyl-1,4-oxazepane-6-carboxamide;hydrochloride has a molecular weight of 353.68 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-7-(3,4-dichlorophenyl)-N,N-dimethyl-1,4-oxazepane-6-carboxamide;hydrochloride is sourced from PubChem (CID 66976242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).