2-(4-chloro-2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide

C22H23ClFNO2 — CID 133162770

IUPAC2-(4-chloro-2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
SMILESO=C(Cc1ccc(Cl)cc1F)NC1CC2(CCCCC2)Oc2ccccc21
InChIInChI=1S/C22H23ClFNO2/c23-16-9-8-15(18(24)13-16)12-21(26)25-19-14-22(10-4-1-5-11-22)27-20-7-3-2-6-17(19)20/h2-3,6-9,13,19H,1,4-5,10-12,14H2,(H,25,26)
InChIKeyBSARZYCJKALCNI-UHFFFAOYSA-N
MW387.88 g/mol
LogP5.36
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide

2-(4-chloro-2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide (PubChem CID 133162770) has the molecular formula C22H23ClFNO2 and a molecular weight of 387.88 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
PubChem CID133162770
Molecular FormulaC22H23ClFNO2
Molecular Weight387.88 g/mol
Exact Mass387.14
IUPAC Name2-(4-chloro-2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
SMILESO=C(Cc1ccc(Cl)cc1F)NC1CC2(CCCCC2)Oc2ccccc21
InChIInChI=1S/C22H23ClFNO2/c23-16-9-8-15(18(24)13-16)12-21(26)25-19-14-22(10-4-1-5-11-22)27-20-7-3-2-6-17(19)20/h2-3,6-9,13,19H,1,4-5,10-12,14H2,(H,25,26)
InChIKeyBSARZYCJKALCNI-UHFFFAOYSA-N
XLogP5.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.88
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chloro-2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133166982
3-(2,4-dichlorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide
CID 133225052
2-(4-chloro-2-fluorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133158321
1-[(4-chloro-2-fluorophenyl)methyl]-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpiperidine-4-carboxamide
CID 133189708
2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpropanamide;hydrochloride
CID 119341948
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
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide
CID 125060093
2-(4-chloro-2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 100671726
1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea
CID 126468272

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide (CID 133162770) is 2-(4-chloro-2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide is O=C(Cc1ccc(Cl)cc1F)NC1CC2(CCCCC2)Oc2ccccc21.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide?
The InChIKey is BSARZYCJKALCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFNO2/c23-16-9-8-15(18(24)13-16)12-21(26)25-19-14-22(10-4-1-5-11-22)27-20-7-3-2-6-17(19)20/h2-3,6-9,13,19H,1,4-5,10-12,14H2,(H,25,26).
What are the key properties of 2-(4-chloro-2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide?
2-(4-chloro-2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide has a molecular weight of 387.88 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide is sourced from PubChem (CID 133162770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).