3,4-bis(difluoromethoxy)-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide

C20H18F4N2O4 — CID 10025470

IUPAC3,4-bis(difluoromethoxy)-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(OC(F)F)c(OC(F)F)c1
InChIInChI=1S/C20H18F4N2O4/c21-19(22)29-15-9-8-12(11-16(15)30-20(23)24)17(27)25-14-7-4-10-26(18(14)28)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14,19-20H,4,7,10H2,(H,25,27)/t14-/m0/s1
InChIKeyVGJTVBWGLFTRLT-AWEZNQCLSA-N
MW426.37 g/mol
LogP3.81
Rot. Bonds7

About 3,4-bis(difluoromethoxy)-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide

3,4-bis(difluoromethoxy)-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide (PubChem CID 10025470) has the molecular formula C20H18F4N2O4 and a molecular weight of 426.37 g/mol. Its IUPAC name is 3,4-bis(difluoromethoxy)-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-bis(difluoromethoxy)-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide
PubChem CID10025470
Molecular FormulaC20H18F4N2O4
Molecular Weight426.37 g/mol
Exact Mass426.12
IUPAC Name3,4-bis(difluoromethoxy)-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(OC(F)F)c(OC(F)F)c1
InChIInChI=1S/C20H18F4N2O4/c21-19(22)29-15-9-8-12(11-16(15)30-20(23)24)17(27)25-14-7-4-10-26(18(14)28)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14,19-20H,4,7,10H2,(H,25,27)/t14-/m0/s1
InChIKeyVGJTVBWGLFTRLT-AWEZNQCLSA-N
XLogP3.81
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyloxy-4-methoxy-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide
CID 10409183
3,4-dimethoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524569
3-amino-N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]benzamide
CID 119806136
N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-cyclopentyloxy-4-(difluoromethoxy)benzamide
CID 11744168
3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234414
3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 164634853
4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234404
3,5-dimethyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234364
N-[(3R)-1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2,2-difluoroacetamide
CID 99842219
4-(dimethylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 71839219
4-amino-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95239356
4-methoxy-6-oxo-N-(2-oxo-1-phenylpiperidin-3-yl)-1H-pyridine-3-carboxamide
CID 138053753

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(difluoromethoxy)-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide?
The IUPAC name of 3,4-bis(difluoromethoxy)-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide (CID 10025470) is 3,4-bis(difluoromethoxy)-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide.
What is the SMILES notation for 3,4-bis(difluoromethoxy)-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide?
The canonical SMILES for 3,4-bis(difluoromethoxy)-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide is O=C(N[C@H]1CCCN(c2ccccc2)C1=O)c1ccc(OC(F)F)c(OC(F)F)c1.
What is the InChIKey of 3,4-bis(difluoromethoxy)-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide?
The InChIKey is VGJTVBWGLFTRLT-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H18F4N2O4/c21-19(22)29-15-9-8-12(11-16(15)30-20(23)24)17(27)25-14-7-4-10-26(18(14)28)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14,19-20H,4,7,10H2,(H,25,27)/t14-/m0/s1.
What are the key properties of 3,4-bis(difluoromethoxy)-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide?
3,4-bis(difluoromethoxy)-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide has a molecular weight of 426.37 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(difluoromethoxy)-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide is sourced from PubChem (CID 10025470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).