3-(3-chloro-4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one

C20H19ClFN3O — CID 1254989

IUPAC3-(3-chloro-4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one
SMILESO=C1/C(=N\c2ccc(F)c(Cl)c2)c2ccccc2N1CN1CCCCC1
InChIInChI=1S/C20H19ClFN3O/c21-16-12-14(8-9-17(16)22)23-19-15-6-2-3-7-18(15)25(20(19)26)13-24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11,13H2/b23-19-
InChIKeySHMRTHWVJIGPCV-NMWGTECJSA-N
MW371.84 g/mol
LogP4.39
Rot. Bonds3

About 3-(3-chloro-4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one

3-(3-chloro-4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one (PubChem CID 1254989) has the molecular formula C20H19ClFN3O and a molecular weight of 371.84 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one
PubChem CID1254989
Molecular FormulaC20H19ClFN3O
Molecular Weight371.84 g/mol
Exact Mass371.12
IUPAC Name3-(3-chloro-4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one
SMILESO=C1/C(=N\c2ccc(F)c(Cl)c2)c2ccccc2N1CN1CCCCC1
InChIInChI=1S/C20H19ClFN3O/c21-16-12-14(8-9-17(16)22)23-19-15-6-2-3-7-18(15)25(20(19)26)13-24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11,13H2/b23-19-
InChIKeySHMRTHWVJIGPCV-NMWGTECJSA-N
XLogP4.39
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-(4-(4-Chlorophenyl)-1-piperazinyl)butyl)indolin-2-one
CID 23653176
3-(3,4-Dichlorophenyl)imino-1-prop-2-enylindol-2-one
CID 3561805
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-indol-2-one
CID 10067716
1-{2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-ethyl}-1,3-dihydro-indol-2-one
CID 44336314
Indol-2(3H)-one, 1-diethylaminomethyl-3-(3-trifluoromethylphenylimino)-
CID 559521
n-(3-Chloro-4-fluorophenyl)-2-[3-(4-fluorophenyl)-2-oxo-1,4-diazaspiro[4.5]dec-3-en-1-yl]acetamide
CID 16062400
3-[(Dimethylamino)azamethylene]-1-[(4-phenylpiperazinyl)methyl]benzo[d]azolidi n-2-one
CID 17370151
1-(3-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
CID 135995904
1-(3-chlorophenyl)-3-[4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
CID 135995907
1-(4-chlorophenyl)-3-[4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
CID 135995908
(3Z)-1-(3-chlorophenyl)-3-(piperidin-1-ylmethylidene)indol-2-one
CID 14575197
N-(3-Chloro-4-fluorophenyl)-2-{2-oxo-3-phenyl-1,4-diazaspiro[4.5]dec-3-EN-1-YL}acetamide
CID 16062033

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one (CID 1254989) is 3-(3-chloro-4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one is O=C1/C(=N\c2ccc(F)c(Cl)c2)c2ccccc2N1CN1CCCCC1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one?
The InChIKey is SHMRTHWVJIGPCV-NMWGTECJSA-N. The full InChI is InChI=1S/C20H19ClFN3O/c21-16-12-14(8-9-17(16)22)23-19-15-6-2-3-7-18(15)25(20(19)26)13-24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11,13H2/b23-19-.
What are the key properties of 3-(3-chloro-4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one?
3-(3-chloro-4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one has a molecular weight of 371.84 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)imino-1-(piperidin-1-ylmethyl)indol-2-one is sourced from PubChem (CID 1254989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).