1'-(2-bromobenzoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one

C20H17BrClNO3 — CID 108758307

IUPAC1'-(2-bromobenzoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3ccccc3Br)CC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C20H17BrClNO3/c21-16-4-2-1-3-14(16)19(25)23-9-7-20(8-10-23)12-17(24)15-11-13(22)5-6-18(15)26-20/h1-6,11H,7-10,12H2
InChIKeyKZOAPVYHIMGALU-UHFFFAOYSA-N
MW434.72 g/mol
LogP4.74
Rot. Bonds1

About 1'-(2-bromobenzoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one

1'-(2-bromobenzoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108758307) has the molecular formula C20H17BrClNO3 and a molecular weight of 434.72 g/mol. Its IUPAC name is 1'-(2-bromobenzoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(2-bromobenzoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108758307
Molecular FormulaC20H17BrClNO3
Molecular Weight434.72 g/mol
Exact Mass433.01
IUPAC Name1'-(2-bromobenzoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3ccccc3Br)CC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C20H17BrClNO3/c21-16-4-2-1-3-14(16)19(25)23-9-7-20(8-10-23)12-17(24)15-11-13(22)5-6-18(15)26-20/h1-6,11H,7-10,12H2
InChIKeyKZOAPVYHIMGALU-UHFFFAOYSA-N
XLogP4.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.72
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-1'-(naphthalene-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758396
1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260534
1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758290
1'-(4-chloro-2-nitrobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734313
6-chloro-1'-(3,6-dichloro-2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735063
2-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoic acid
CID 7260656
1'-benzoyl-6-bromospiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770141
1-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione
CID 108735144
1'-(2-iodobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757554
1'-(adamantane-1-carbonyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735105
6-chloro-4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 23641501
6-chloro-1'-[2-(2-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735131

Frequently Asked Questions

What is the IUPAC name of 1'-(2-bromobenzoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(2-bromobenzoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one (CID 108758307) is 1'-(2-bromobenzoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(2-bromobenzoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(2-bromobenzoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)c3ccccc3Br)CC2)Oc2ccc(Cl)cc21.
What is the InChIKey of 1'-(2-bromobenzoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is KZOAPVYHIMGALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrClNO3/c21-16-4-2-1-3-14(16)19(25)23-9-7-20(8-10-23)12-17(24)15-11-13(22)5-6-18(15)26-20/h1-6,11H,7-10,12H2.
What are the key properties of 1'-(2-bromobenzoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(2-bromobenzoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 434.72 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-bromobenzoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108758307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).