N-[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]cyclopropanecarboxamide

C15H18Cl2N2O2 — CID 66975679

IUPACN-[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]cyclopropanecarboxamide
SMILESO=C(N[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C15H18Cl2N2O2/c16-11-4-3-10(7-12(11)17)14-13(8-18-5-6-21-14)19-15(20)9-1-2-9/h3-4,7,9,13-14,18H,1-2,5-6,8H2,(H,19,20)/t13-,14+/m1/s1
InChIKeyGCCWPPRLTVVNQZ-KGLIPLIRSA-N
MW329.23 g/mol
LogP2.55
Rot. Bonds3

About N-[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]cyclopropanecarboxamide

N-[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]cyclopropanecarboxamide (PubChem CID 66975679) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is N-[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]cyclopropanecarboxamide
PubChem CID66975679
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC NameN-[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]cyclopropanecarboxamide
SMILESO=C(N[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C15H18Cl2N2O2/c16-11-4-3-10(7-12(11)17)14-13(8-18-5-6-21-14)19-15(20)9-1-2-9/h3-4,7,9,13-14,18H,1-2,5-6,8H2,(H,19,20)/t13-,14+/m1/s1
InChIKeyGCCWPPRLTVVNQZ-KGLIPLIRSA-N
XLogP2.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]acetamide;hydrochloride
CID 66975995
N-[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]-2-oxopropanamide
CID 66976001
N-[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]-2-phenylacetamide;hydrochloride
CID 66975235
3-[[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]carbamoyl]benzoic acid;hydrochloride
CID 66976028
N-[(6R,7S)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]acetamide
CID 66976115
N-[7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 137159923
2,2-bis[(6R,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]acetic acid;hydrochloride
CID 66978414
N-[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]-2-[3-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]acetamide;hydrochloride
CID 141397411
methyl N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]carbamate
CID 67123358
[7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methanol;hydrochloride
CID 77244075
N-[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]pyridine-3-sulfonamide
CID 66975112
N-[7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]pyridine-3-sulfonamide
CID 77243791

Frequently Asked Questions

What is the IUPAC name of N-[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]cyclopropanecarboxamide (CID 66975679) is N-[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]cyclopropanecarboxamide is O=C(N[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1)C1CC1.
What is the InChIKey of N-[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]cyclopropanecarboxamide?
The InChIKey is GCCWPPRLTVVNQZ-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c16-11-4-3-10(7-12(11)17)14-13(8-18-5-6-21-14)19-15(20)9-1-2-9/h3-4,7,9,13-14,18H,1-2,5-6,8H2,(H,19,20)/t13-,14+/m1/s1.
What are the key properties of N-[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]cyclopropanecarboxamide?
N-[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]cyclopropanecarboxamide has a molecular weight of 329.23 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 66975679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).