1-[4-[4-(3-chloro-4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone

C18H18ClFN4O2 — CID 109209092

IUPAC1-[4-[4-(3-chloro-4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(Nc3ccc(F)c(Cl)c3)ccn2)CC1
InChIInChI=1S/C18H18ClFN4O2/c1-12(25)23-6-8-24(9-7-23)18(26)17-11-14(4-5-21-17)22-13-2-3-16(20)15(19)10-13/h2-5,10-11H,6-9H2,1H3,(H,21,22)
InChIKeyFRTPMMLMFODOPC-UHFFFAOYSA-N
MW376.82 g/mol
LogP2.92
Rot. Bonds3

About 1-[4-[4-(3-chloro-4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone

1-[4-[4-(3-chloro-4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109209092) has the molecular formula C18H18ClFN4O2 and a molecular weight of 376.82 g/mol. Its IUPAC name is 1-[4-[4-(3-chloro-4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(3-chloro-4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
PubChem CID109209092
Molecular FormulaC18H18ClFN4O2
Molecular Weight376.82 g/mol
Exact Mass376.11
IUPAC Name1-[4-[4-(3-chloro-4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(Nc3ccc(F)c(Cl)c3)ccn2)CC1
InChIInChI=1S/C18H18ClFN4O2/c1-12(25)23-6-8-24(9-7-23)18(26)17-11-14(4-5-21-17)22-13-2-3-16(20)15(19)10-13/h2-5,10-11H,6-9H2,1H3,(H,21,22)
InChIKeyFRTPMMLMFODOPC-UHFFFAOYSA-N
XLogP2.92
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-(3-chloro-4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone 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

1-[4-[4-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209127
1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209084
1-[4-[4-[4-(trifluoromethyl)anilino]pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209109
1-[4-[2-(3-chloro-4-fluoroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254688
4-[4-(3-chloro-4-methylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208797
1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209061
N-(3-chloro-4-fluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084361
1-[4-[4-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209018
[4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208151
[4-(3,5-dichloroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208539
4-(3-chloro-4-fluoroanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109219361
[4-(4-chloroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218123

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-chloro-4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(3-chloro-4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone (CID 109209092) is 1-[4-[4-(3-chloro-4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(3-chloro-4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(3-chloro-4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cc(Nc3ccc(F)c(Cl)c3)ccn2)CC1.
What is the InChIKey of 1-[4-[4-(3-chloro-4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is FRTPMMLMFODOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4O2/c1-12(25)23-6-8-24(9-7-23)18(26)17-11-14(4-5-21-17)22-13-2-3-16(20)15(19)10-13/h2-5,10-11H,6-9H2,1H3,(H,21,22).
What are the key properties of 1-[4-[4-(3-chloro-4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
1-[4-[4-(3-chloro-4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 376.82 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-chloro-4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109209092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).