3-(2,4-dichlorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide

C23H25Cl2NO2 — CID 133225052

IUPAC3-(2,4-dichlorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)NC1CC2(CCCCC2)Oc2ccccc21
InChIInChI=1S/C23H25Cl2NO2/c24-17-10-8-16(19(25)14-17)9-11-22(27)26-20-15-23(12-4-1-5-13-23)28-21-7-3-2-6-18(20)21/h2-3,6-8,10,14,20H,1,4-5,9,11-13,15H2,(H,26,27)
InChIKeyQJSGQYBMAZKNHX-UHFFFAOYSA-N
MW418.36 g/mol
LogP6.27
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide

3-(2,4-dichlorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide (PubChem CID 133225052) has the molecular formula C23H25Cl2NO2 and a molecular weight of 418.36 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide
PubChem CID133225052
Molecular FormulaC23H25Cl2NO2
Molecular Weight418.36 g/mol
Exact Mass417.13
IUPAC Name3-(2,4-dichlorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)NC1CC2(CCCCC2)Oc2ccccc21
InChIInChI=1S/C23H25Cl2NO2/c24-17-10-8-16(19(25)14-17)9-11-22(27)26-20-15-23(12-4-1-5-13-23)28-21-7-3-2-6-18(20)21/h2-3,6-8,10,14,20H,1,4-5,9,11-13,15H2,(H,26,27)
InChIKeyQJSGQYBMAZKNHX-UHFFFAOYSA-N
XLogP6.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.36
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133162770
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpropanamide;hydrochloride
CID 119341948
2-(2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133166982
N-[(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-(2-cyclopentyloxyphenyl)propanamide
CID 68790910
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133161626
2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133224868
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide
CID 133199771
1-[(4-chloro-2-fluorophenyl)methyl]-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpiperidine-4-carboxamide
CID 133189708
3-(2,4-dichlorophenyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100608648
N-(6-chlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(2-cyclopentyloxy-3-methylphenyl)propanamide
CID 74930646

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide (CID 133225052) is 3-(2,4-dichlorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide is O=C(CCc1ccc(Cl)cc1Cl)NC1CC2(CCCCC2)Oc2ccccc21.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide?
The InChIKey is QJSGQYBMAZKNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2NO2/c24-17-10-8-16(19(25)14-17)9-11-22(27)26-20-15-23(12-4-1-5-13-23)28-21-7-3-2-6-18(20)21/h2-3,6-8,10,14,20H,1,4-5,9,11-13,15H2,(H,26,27).
What are the key properties of 3-(2,4-dichlorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide?
3-(2,4-dichlorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide has a molecular weight of 418.36 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide is sourced from PubChem (CID 133225052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).