(4Z)-8-chloro-4-methoxyimino-N-[4-(trifluoromethyl)phenyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide

C22H21ClF3N3O3 — CID 46918073

IUPAC(4Z)-8-chloro-4-methoxyimino-N-[4-(trifluoromethyl)phenyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
SMILESCO/N=C1/CC2(CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)Oc2c(Cl)cccc21
InChIInChI=1S/C22H21ClF3N3O3/c1-31-28-18-13-21(32-19-16(18)3-2-4-17(19)23)9-11-29(12-10-21)20(30)27-15-7-5-14(6-8-15)22(24,25)26/h2-8H,9-13H2,1H3,(H,27,30)/b28-18-
InChIKeySZTGQCJNJYZYAL-VEILYXNESA-N
MW467.88 g/mol
LogP5.56
Rot. Bonds2

About (4Z)-8-chloro-4-methoxyimino-N-[4-(trifluoromethyl)phenyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide

(4Z)-8-chloro-4-methoxyimino-N-[4-(trifluoromethyl)phenyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 46918073) has the molecular formula C22H21ClF3N3O3 and a molecular weight of 467.88 g/mol. Its IUPAC name is (4Z)-8-chloro-4-methoxyimino-N-[4-(trifluoromethyl)phenyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name(4Z)-8-chloro-4-methoxyimino-N-[4-(trifluoromethyl)phenyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
PubChem CID46918073
Molecular FormulaC22H21ClF3N3O3
Molecular Weight467.88 g/mol
Exact Mass467.12
IUPAC Name(4Z)-8-chloro-4-methoxyimino-N-[4-(trifluoromethyl)phenyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
SMILESCO/N=C1/CC2(CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)Oc2c(Cl)cccc21
InChIInChI=1S/C22H21ClF3N3O3/c1-31-28-18-13-21(32-19-16(18)3-2-4-17(19)23)9-11-29(12-10-21)20(30)27-15-7-5-14(6-8-15)22(24,25)26/h2-8H,9-13H2,1H3,(H,27,30)/b28-18-
InChIKeySZTGQCJNJYZYAL-VEILYXNESA-N
XLogP5.56
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.88
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-chloro-N-(3-chlorophenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 100761536
N-(4-chlorophenyl)-7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 108782741
8-chloro-N-[4-(methylcarbamoyl)-2-pyridinyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 46927020
1'-benzoyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 100761498
9-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 71566458
8-chloro-4-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 46917945
4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11349537
N-[3-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 90565791
4-(3-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 91319838
4-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113104985
N-(4-tert-butylphenyl)-3-(4-chloro-3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
CID 69278509
(NE)-N-(1'-benzyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-ylidene)hydroxylamine
CID 88869998

Frequently Asked Questions

What is the IUPAC name of (4Z)-8-chloro-4-methoxyimino-N-[4-(trifluoromethyl)phenyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of (4Z)-8-chloro-4-methoxyimino-N-[4-(trifluoromethyl)phenyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide (CID 46918073) is (4Z)-8-chloro-4-methoxyimino-N-[4-(trifluoromethyl)phenyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for (4Z)-8-chloro-4-methoxyimino-N-[4-(trifluoromethyl)phenyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for (4Z)-8-chloro-4-methoxyimino-N-[4-(trifluoromethyl)phenyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide is CO/N=C1/CC2(CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)Oc2c(Cl)cccc21.
What is the InChIKey of (4Z)-8-chloro-4-methoxyimino-N-[4-(trifluoromethyl)phenyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is SZTGQCJNJYZYAL-VEILYXNESA-N. The full InChI is InChI=1S/C22H21ClF3N3O3/c1-31-28-18-13-21(32-19-16(18)3-2-4-17(19)23)9-11-29(12-10-21)20(30)27-15-7-5-14(6-8-15)22(24,25)26/h2-8H,9-13H2,1H3,(H,27,30)/b28-18-.
What are the key properties of (4Z)-8-chloro-4-methoxyimino-N-[4-(trifluoromethyl)phenyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
(4Z)-8-chloro-4-methoxyimino-N-[4-(trifluoromethyl)phenyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 467.88 g/mol, XLogP of 5.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-8-chloro-4-methoxyimino-N-[4-(trifluoromethyl)phenyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 46918073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).