[2-[(2-chloro-6-fluorophenyl)carbamoyl]-4-fluoro-5-(piperidine-1-carbonylamino)phenyl] hypofluorite

C19H17ClF3N3O3 — CID 156644013

IUPAC[2-[(2-chloro-6-fluorophenyl)carbamoyl]-4-fluoro-5-(piperidine-1-carbonylamino)phenyl] hypofluorite
SMILESO=C(Nc1c(F)cccc1Cl)c1cc(F)c(NC(=O)N2CCCCC2)cc1OF
InChIInChI=1S/C19H17ClF3N3O3/c20-12-5-4-6-13(21)17(12)25-18(27)11-9-14(22)15(10-16(11)29-23)24-19(28)26-7-2-1-3-8-26/h4-6,9-10H,1-3,7-8H2,(H,24,28)(H,25,27)
InChIKeyASPWVOVNGGZVRK-UHFFFAOYSA-N
MW427.81 g/mol
LogP5.15
Rot. Bonds4

About [2-[(2-chloro-6-fluorophenyl)carbamoyl]-4-fluoro-5-(piperidine-1-carbonylamino)phenyl] hypofluorite

[2-[(2-chloro-6-fluorophenyl)carbamoyl]-4-fluoro-5-(piperidine-1-carbonylamino)phenyl] hypofluorite (PubChem CID 156644013) has the molecular formula C19H17ClF3N3O3 and a molecular weight of 427.81 g/mol. Its IUPAC name is [2-[(2-chloro-6-fluorophenyl)carbamoyl]-4-fluoro-5-(piperidine-1-carbonylamino)phenyl] hypofluorite.

Molecular Properties

Compound Name[2-[(2-chloro-6-fluorophenyl)carbamoyl]-4-fluoro-5-(piperidine-1-carbonylamino)phenyl] hypofluorite
PubChem CID156644013
Molecular FormulaC19H17ClF3N3O3
Molecular Weight427.81 g/mol
Exact Mass427.09
IUPAC Name[2-[(2-chloro-6-fluorophenyl)carbamoyl]-4-fluoro-5-(piperidine-1-carbonylamino)phenyl] hypofluorite
SMILESO=C(Nc1c(F)cccc1Cl)c1cc(F)c(NC(=O)N2CCCCC2)cc1OF
InChIInChI=1S/C19H17ClF3N3O3/c20-12-5-4-6-13(21)17(12)25-18(27)11-9-14(22)15(10-16(11)29-23)24-19(28)26-7-2-1-3-8-26/h4-6,9-10H,1-3,7-8H2,(H,24,28)(H,25,27)
InChIKeyASPWVOVNGGZVRK-UHFFFAOYSA-N
XLogP5.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.81
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[(2-chloro-6-fluorophenyl)carbamoyl]-4-fluoro-5-(piperidine-1-carbonylamino)phenyl] hypofluorite 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-chloro-6-fluorophenyl)carbamoyl]-4-fluoro-5-[(3-fluoropyrrolidine-1-carbonyl)amino]phenyl] hypofluorite;1,1,1-trifluoropropane
CID 156644014
N-[4-[(2-chloro-6-fluorophenyl)carbamoyl]-2-fluoro-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-2-oxopyrrolidine-1-carboxamide
CID 175717115
N-[4-[(2-chloro-6-fluorophenyl)carbamoyl]-5-(1-cyclohexylethoxy)-2-fluorophenyl]-2-iminopiperidine-1-carboxamide
CID 134473976
N-(2-chloro-6-fluorophenyl)-5-fluoro-4-[1-(3-methylpyrrolidin-1-yl)ethenylamino]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide
CID 167594401
N-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide
CID 108896475
2-(azocane-1-carbonylamino)-3-fluorobenzoic acid
CID 81498589
N-(4-chloro-2-fluoro-5-pentoxyphenyl)piperidine-1-carboxamide
CID 13272911
N-(2-chloro-6-fluorophenyl)-5-fluoro-4-[1-[3-(hydroxymethyl)azetidin-1-yl]ethenylamino]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide
CID 167594399
N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide
CID 108896638
N-(2-amino-6-fluorophenyl)pyrrolidine-1-carboxamide
CID 81310935
4-[4-[(2-chlorobenzoyl)amino]-2-(piperidine-1-carbonyl)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 42678912
N-(4-bromo-2,5-difluorophenyl)piperidine-1-carboxamide
CID 107610837

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-6-fluorophenyl)carbamoyl]-4-fluoro-5-(piperidine-1-carbonylamino)phenyl] hypofluorite?
The IUPAC name of [2-[(2-chloro-6-fluorophenyl)carbamoyl]-4-fluoro-5-(piperidine-1-carbonylamino)phenyl] hypofluorite (CID 156644013) is [2-[(2-chloro-6-fluorophenyl)carbamoyl]-4-fluoro-5-(piperidine-1-carbonylamino)phenyl] hypofluorite.
What is the SMILES notation for [2-[(2-chloro-6-fluorophenyl)carbamoyl]-4-fluoro-5-(piperidine-1-carbonylamino)phenyl] hypofluorite?
The canonical SMILES for [2-[(2-chloro-6-fluorophenyl)carbamoyl]-4-fluoro-5-(piperidine-1-carbonylamino)phenyl] hypofluorite is O=C(Nc1c(F)cccc1Cl)c1cc(F)c(NC(=O)N2CCCCC2)cc1OF.
What is the InChIKey of [2-[(2-chloro-6-fluorophenyl)carbamoyl]-4-fluoro-5-(piperidine-1-carbonylamino)phenyl] hypofluorite?
The InChIKey is ASPWVOVNGGZVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3O3/c20-12-5-4-6-13(21)17(12)25-18(27)11-9-14(22)15(10-16(11)29-23)24-19(28)26-7-2-1-3-8-26/h4-6,9-10H,1-3,7-8H2,(H,24,28)(H,25,27).
What are the key properties of [2-[(2-chloro-6-fluorophenyl)carbamoyl]-4-fluoro-5-(piperidine-1-carbonylamino)phenyl] hypofluorite?
[2-[(2-chloro-6-fluorophenyl)carbamoyl]-4-fluoro-5-(piperidine-1-carbonylamino)phenyl] hypofluorite has a molecular weight of 427.81 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-6-fluorophenyl)carbamoyl]-4-fluoro-5-(piperidine-1-carbonylamino)phenyl] hypofluorite is sourced from PubChem (CID 156644013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).