4-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-fluorophenyl)-4-oxobutanamide

C23H22ClFN2O4 — CID 108758337

IUPAC4-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)ccc1O2)Nc1ccc(F)cc1
InChIInChI=1S/C23H22ClFN2O4/c24-15-1-6-20-18(13-15)19(28)14-23(31-20)9-11-27(12-10-23)22(30)8-7-21(29)26-17-4-2-16(25)3-5-17/h1-6,13H,7-12,14H2,(H,26,29)
InChIKeyICWBGMNVKNQFJA-UHFFFAOYSA-N
MW444.89 g/mol
LogP4.22
Rot. Bonds4

About 4-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-fluorophenyl)-4-oxobutanamide

4-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 108758337) has the molecular formula C23H22ClFN2O4 and a molecular weight of 444.89 g/mol. Its IUPAC name is 4-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-fluorophenyl)-4-oxobutanamide
PubChem CID108758337
Molecular FormulaC23H22ClFN2O4
Molecular Weight444.89 g/mol
Exact Mass444.13
IUPAC Name4-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)ccc1O2)Nc1ccc(F)cc1
InChIInChI=1S/C23H22ClFN2O4/c24-15-1-6-20-18(13-15)19(28)14-23(31-20)9-11-27(12-10-23)22(30)8-7-21(29)26-17-4-2-16(25)3-5-17/h1-6,13H,7-12,14H2,(H,26,29)
InChIKeyICWBGMNVKNQFJA-UHFFFAOYSA-N
XLogP4.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.89
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione
CID 108735144
6-chloro-1'-[4-(2,4-dichlorophenoxy)butanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735075
5-[2-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 44770169
1-(4-chlorophenyl)-4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)butane-1,4-dione
CID 108734581
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
1'-(adamantane-1-carbonyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735105
1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734528
butyl 6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735122
1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758290
6-chloro-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735171
N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 51362513

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of 4-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-fluorophenyl)-4-oxobutanamide (CID 108758337) is 4-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for 4-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-fluorophenyl)-4-oxobutanamide is O=C(CCC(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)ccc1O2)Nc1ccc(F)cc1.
What is the InChIKey of 4-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is ICWBGMNVKNQFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O4/c24-15-1-6-20-18(13-15)19(28)14-23(31-20)9-11-27(12-10-23)22(30)8-7-21(29)26-17-4-2-16(25)3-5-17/h1-6,13H,7-12,14H2,(H,26,29).
What are the key properties of 4-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-fluorophenyl)-4-oxobutanamide?
4-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 444.89 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-N-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 108758337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).