[6-chloro-4-(4-chloro-2-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone

C24H21Cl2F2N3O — CID 118412213

IUPAC[6-chloro-4-(4-chloro-2-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
SMILESCc1c(Cl)ncc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c1Nc1ccc(Cl)cc1F
InChIInChI=1S/C24H21Cl2F2N3O/c1-14-22(30-21-7-4-17(25)12-20(21)28)19(13-29-23(14)26)24(32)31-10-8-16(9-11-31)15-2-5-18(27)6-3-15/h2-7,12-13,16H,8-11H2,1H3,(H,29,30)
InChIKeyXVPGLCFKYHMEDC-UHFFFAOYSA-N
MW476.35 g/mol
LogP6.74
Rot. Bonds4

About [6-chloro-4-(4-chloro-2-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone

[6-chloro-4-(4-chloro-2-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone (PubChem CID 118412213) has the molecular formula C24H21Cl2F2N3O and a molecular weight of 476.35 g/mol. Its IUPAC name is [6-chloro-4-(4-chloro-2-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-chloro-4-(4-chloro-2-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
PubChem CID118412213
Molecular FormulaC24H21Cl2F2N3O
Molecular Weight476.35 g/mol
Exact Mass475.10
IUPAC Name[6-chloro-4-(4-chloro-2-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
SMILESCc1c(Cl)ncc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c1Nc1ccc(Cl)cc1F
InChIInChI=1S/C24H21Cl2F2N3O/c1-14-22(30-21-7-4-17(25)12-20(21)28)19(13-29-23(14)26)24(32)31-10-8-16(9-11-31)15-2-5-18(27)6-3-15/h2-7,12-13,16H,8-11H2,1H3,(H,29,30)
InChIKeyXVPGLCFKYHMEDC-UHFFFAOYSA-N
XLogP6.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.35
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [6-chloro-4-(4-chloro-2-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone 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

[6-chloro-4-(2-chloro-5-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412217
[6-chloro-4-(3-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412730
3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
CID 118412752
3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonic acid
CID 118412207
4-(2,5-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-3-methylpyridine-2-sulfonic acid
CID 118412792
[4-(4-chloro-2-methylanilino)-5-methyl-6-sulfanylidene-1H-pyridin-3-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412266
4-(2-fluoro-4-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
CID 118412317
4-(4-chloro-2,3-dimethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
CID 118412903
3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 118430946
[7-(5-chloro-2-fluoroanilino)pyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 141364699
3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(2-methyl-4-nitroanilino)pyridine-2-sulfonamide
CID 118412635
[4-(2-chloro-5-fluoroanilino)-5-methyl-6-sulfanylidene-1H-pyridin-3-yl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412235

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-(4-chloro-2-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
The IUPAC name of [6-chloro-4-(4-chloro-2-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone (CID 118412213) is [6-chloro-4-(4-chloro-2-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-chloro-4-(4-chloro-2-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-chloro-4-(4-chloro-2-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone is Cc1c(Cl)ncc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c1Nc1ccc(Cl)cc1F.
What is the InChIKey of [6-chloro-4-(4-chloro-2-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
The InChIKey is XVPGLCFKYHMEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2F2N3O/c1-14-22(30-21-7-4-17(25)12-20(21)28)19(13-29-23(14)26)24(32)31-10-8-16(9-11-31)15-2-5-18(27)6-3-15/h2-7,12-13,16H,8-11H2,1H3,(H,29,30).
What are the key properties of [6-chloro-4-(4-chloro-2-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
[6-chloro-4-(4-chloro-2-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone has a molecular weight of 476.35 g/mol, XLogP of 6.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-(4-chloro-2-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 118412213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).