2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-[4-(difluoromethoxy)phenyl]acetamide

C22H22ClF2N3O5 — CID 129458251

IUPAC2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCOC[C@]2(C1)CN(c1ccc(Cl)cc1)C(=O)O2)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C22H22ClF2N3O5/c23-15-1-5-17(6-2-15)28-13-22(33-21(28)30)12-27(9-10-31-14-22)11-19(29)26-16-3-7-18(8-4-16)32-20(24)25/h1-8,20H,9-14H2,(H,26,29)/t22-/m0/s1
InChIKeySMEHVLXDXIKOPT-QFIPXVFZSA-N
MW481.88 g/mol
LogP3.61
Rot. Bonds6

About 2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-[4-(difluoromethoxy)phenyl]acetamide

2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-[4-(difluoromethoxy)phenyl]acetamide (PubChem CID 129458251) has the molecular formula C22H22ClF2N3O5 and a molecular weight of 481.88 g/mol. Its IUPAC name is 2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-[4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
PubChem CID129458251
Molecular FormulaC22H22ClF2N3O5
Molecular Weight481.88 g/mol
Exact Mass481.12
IUPAC Name2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCOC[C@]2(C1)CN(c1ccc(Cl)cc1)C(=O)O2)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C22H22ClF2N3O5/c23-15-1-5-17(6-2-15)28-13-22(33-21(28)30)12-27(9-10-31-14-22)11-19(29)26-16-3-7-18(8-4-16)32-20(24)25/h1-8,20H,9-14H2,(H,26,29)/t22-/m0/s1
InChIKeySMEHVLXDXIKOPT-QFIPXVFZSA-N
XLogP3.61
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.88
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 129455239
2-[3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 110152741
2-[4-(difluoromethoxy)anilino]-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 55518556
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 32738021
N-(4-chlorophenyl)-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42982854
N-[4-(difluoromethoxy)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 46460027
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 27194088
N-[4-(difluoromethoxy)phenyl]-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125025487
N-[4-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125025484
1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[4-(difluoromethoxy)phenyl]urea
CID 7552035
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[4-(difluoromethoxy)phenyl]urea
CID 18564528
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 9131152

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-[4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-[4-(difluoromethoxy)phenyl]acetamide (CID 129458251) is 2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-[4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-[4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-[4-(difluoromethoxy)phenyl]acetamide is O=C(CN1CCOC[C@]2(C1)CN(c1ccc(Cl)cc1)C(=O)O2)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-[4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is SMEHVLXDXIKOPT-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H22ClF2N3O5/c23-15-1-5-17(6-2-15)28-13-22(33-21(28)30)12-27(9-10-31-14-22)11-19(29)26-16-3-7-18(8-4-16)32-20(24)25/h1-8,20H,9-14H2,(H,26,29)/t22-/m0/s1.
What are the key properties of 2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-[4-(difluoromethoxy)phenyl]acetamide?
2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-[4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 481.88 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-3-(4-chlorophenyl)-2-oxo-1,10-dioxa-3,7-diazaspiro[4.6]undecan-7-yl]-N-[4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 129458251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).