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

C12H15Cl3N2O2 — CID 66975647

IUPAC(6R,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepane-6-carboxamide;hydrochloride
SMILESCl.NC(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O2.ClH/c13-9-2-1-7(5-10(9)14)11-8(12(15)17)6-16-3-4-18-11;/h1-2,5,8,11,16H,3-4,6H2,(H2,15,17);1H/t8-,11+;/m1./s1
InChIKeyFDKMWPCRMXOEIV-NINOIYOQSA-N
MW325.62 g/mol
LogP2.18
Rot. Bonds2

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

(6R,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepane-6-carboxamide;hydrochloride (PubChem CID 66975647) has the molecular formula C12H15Cl3N2O2 and a molecular weight of 325.62 g/mol. Its IUPAC name is (6R,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepane-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name(6R,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepane-6-carboxamide;hydrochloride
PubChem CID66975647
Molecular FormulaC12H15Cl3N2O2
Molecular Weight325.62 g/mol
Exact Mass324.02
IUPAC Name(6R,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepane-6-carboxamide;hydrochloride
SMILESCl.NC(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O2.ClH/c13-9-2-1-7(5-10(9)14)11-8(12(15)17)6-16-3-4-18-11;/h1-2,5,8,11,16H,3-4,6H2,(H2,15,17);1H/t8-,11+;/m1./s1
InChIKeyFDKMWPCRMXOEIV-NINOIYOQSA-N
XLogP2.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.62
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepane-6-carboxamide;hydrochloride?
The IUPAC name of (6R,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepane-6-carboxamide;hydrochloride (CID 66975647) is (6R,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepane-6-carboxamide;hydrochloride.
What is the SMILES notation for (6R,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepane-6-carboxamide;hydrochloride?
The canonical SMILES for (6R,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepane-6-carboxamide;hydrochloride is Cl.NC(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (6R,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepane-6-carboxamide;hydrochloride?
The InChIKey is FDKMWPCRMXOEIV-NINOIYOQSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2.ClH/c13-9-2-1-7(5-10(9)14)11-8(12(15)17)6-16-3-4-18-11;/h1-2,5,8,11,16H,3-4,6H2,(H2,15,17);1H/t8-,11+;/m1./s1.
What are the key properties of (6R,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepane-6-carboxamide;hydrochloride?
(6R,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepane-6-carboxamide;hydrochloride has a molecular weight of 325.62 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepane-6-carboxamide;hydrochloride is sourced from PubChem (CID 66975647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).