3,5-dichloro-2-hydroxy-N-[(3S)-1-(6-oxo-1H-pyridin-3-yl)pyrrolidin-3-yl]benzamide;fluorobenzene

C22H20Cl2FN3O3 — CID 144738137

IUPAC3,5-dichloro-2-hydroxy-N-[(3S)-1-(6-oxo-1H-pyridin-3-yl)pyrrolidin-3-yl]benzamide;fluorobenzene
SMILESFc1ccccc1.O=C(N[C@H]1CCN(c2ccc(=O)[nH]c2)C1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C16H15Cl2N3O3.C6H5F/c17-9-5-12(15(23)13(18)6-9)16(24)20-10-3-4-21(8-10)11-1-2-14(22)19-7-11;7-6-4-2-1-3-5-6/h1-2,5-7,10,23H,3-4,8H2,(H,19,22)(H,20,24);1-5H/t10-;/m0./s1
InChIKeyCOWPIJHKOAIGOW-PPHPATTJSA-N
MW464.32 g/mol
LogP4.22
Rot. Bonds3

About 3,5-dichloro-2-hydroxy-N-[(3S)-1-(6-oxo-1H-pyridin-3-yl)pyrrolidin-3-yl]benzamide;fluorobenzene

3,5-dichloro-2-hydroxy-N-[(3S)-1-(6-oxo-1H-pyridin-3-yl)pyrrolidin-3-yl]benzamide;fluorobenzene (PubChem CID 144738137) has the molecular formula C22H20Cl2FN3O3 and a molecular weight of 464.32 g/mol. Its IUPAC name is 3,5-dichloro-2-hydroxy-N-[(3S)-1-(6-oxo-1H-pyridin-3-yl)pyrrolidin-3-yl]benzamide;fluorobenzene.

Molecular Properties

Compound Name3,5-dichloro-2-hydroxy-N-[(3S)-1-(6-oxo-1H-pyridin-3-yl)pyrrolidin-3-yl]benzamide;fluorobenzene
PubChem CID144738137
Molecular FormulaC22H20Cl2FN3O3
Molecular Weight464.32 g/mol
Exact Mass463.09
IUPAC Name3,5-dichloro-2-hydroxy-N-[(3S)-1-(6-oxo-1H-pyridin-3-yl)pyrrolidin-3-yl]benzamide;fluorobenzene
SMILESFc1ccccc1.O=C(N[C@H]1CCN(c2ccc(=O)[nH]c2)C1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C16H15Cl2N3O3.C6H5F/c17-9-5-12(15(23)13(18)6-9)16(24)20-10-3-4-21(8-10)11-1-2-14(22)19-7-11;7-6-4-2-1-3-5-6/h1-2,5-7,10,23H,3-4,8H2,(H,19,22)(H,20,24);1-5H/t10-;/m0./s1
InChIKeyCOWPIJHKOAIGOW-PPHPATTJSA-N
XLogP4.22
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.32
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-2-hydroxy-N-[(3S)-1-[3-[(E)-prop-1-enyl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]benzamide;fluorobenzene
CID 144738243
3,5-dichloro-2-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide
CID 144738035
2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 178146520
N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide
CID 71921793
3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide
CID 72547632
3,5-dichloro-N-[(3S)-1-(3-ethylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-hydroxybenzamide
CID 144738541
3,5-dichloro-N-(1-cyclopropylsulfonylazepan-3-yl)-2-hydroxybenzamide
CID 178146238
N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-5-cyclopropyl-1-methylpyrazole-4-carboxamide
CID 138996050
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-(2,2-difluoroethyl)pyrazole-3-carboxamide
CID 139005974
2-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563633
N-(1-benzylpiperidin-4-yl)-3,5-dichloro-2-iodobenzamide
CID 26691477

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-hydroxy-N-[(3S)-1-(6-oxo-1H-pyridin-3-yl)pyrrolidin-3-yl]benzamide;fluorobenzene?
The IUPAC name of 3,5-dichloro-2-hydroxy-N-[(3S)-1-(6-oxo-1H-pyridin-3-yl)pyrrolidin-3-yl]benzamide;fluorobenzene (CID 144738137) is 3,5-dichloro-2-hydroxy-N-[(3S)-1-(6-oxo-1H-pyridin-3-yl)pyrrolidin-3-yl]benzamide;fluorobenzene.
What is the SMILES notation for 3,5-dichloro-2-hydroxy-N-[(3S)-1-(6-oxo-1H-pyridin-3-yl)pyrrolidin-3-yl]benzamide;fluorobenzene?
The canonical SMILES for 3,5-dichloro-2-hydroxy-N-[(3S)-1-(6-oxo-1H-pyridin-3-yl)pyrrolidin-3-yl]benzamide;fluorobenzene is Fc1ccccc1.O=C(N[C@H]1CCN(c2ccc(=O)[nH]c2)C1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-2-hydroxy-N-[(3S)-1-(6-oxo-1H-pyridin-3-yl)pyrrolidin-3-yl]benzamide;fluorobenzene?
The InChIKey is COWPIJHKOAIGOW-PPHPATTJSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3.C6H5F/c17-9-5-12(15(23)13(18)6-9)16(24)20-10-3-4-21(8-10)11-1-2-14(22)19-7-11;7-6-4-2-1-3-5-6/h1-2,5-7,10,23H,3-4,8H2,(H,19,22)(H,20,24);1-5H/t10-;/m0./s1.
What are the key properties of 3,5-dichloro-2-hydroxy-N-[(3S)-1-(6-oxo-1H-pyridin-3-yl)pyrrolidin-3-yl]benzamide;fluorobenzene?
3,5-dichloro-2-hydroxy-N-[(3S)-1-(6-oxo-1H-pyridin-3-yl)pyrrolidin-3-yl]benzamide;fluorobenzene has a molecular weight of 464.32 g/mol, XLogP of 4.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-hydroxy-N-[(3S)-1-(6-oxo-1H-pyridin-3-yl)pyrrolidin-3-yl]benzamide;fluorobenzene is sourced from PubChem (CID 144738137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).