N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-cyclopentyloxy-4-(difluoromethoxy)benzamide

C24H26F2N2O4 — CID 11744168

IUPACN-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-cyclopentyloxy-4-(difluoromethoxy)benzamide
SMILESO=C(N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(OC(F)F)c(OC2CCCC2)c1
InChIInChI=1S/C24H26F2N2O4/c25-24(26)32-20-11-10-17(14-21(20)31-18-8-4-5-9-18)22(29)27-19-12-13-28(23(19)30)15-16-6-2-1-3-7-16/h1-3,6-7,10-11,14,18-19,24H,4-5,8-9,12-13,15H2,(H,27,29)/t19-/m0/s1
InChIKeyPWARMGPXJURQSP-IBGZPJMESA-N
MW444.48 g/mol
LogP4.14
Rot. Bonds8

About N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-cyclopentyloxy-4-(difluoromethoxy)benzamide

N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-cyclopentyloxy-4-(difluoromethoxy)benzamide (PubChem CID 11744168) has the molecular formula C24H26F2N2O4 and a molecular weight of 444.48 g/mol. Its IUPAC name is N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-cyclopentyloxy-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-cyclopentyloxy-4-(difluoromethoxy)benzamide
PubChem CID11744168
Molecular FormulaC24H26F2N2O4
Molecular Weight444.48 g/mol
Exact Mass444.19
IUPAC NameN-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-cyclopentyloxy-4-(difluoromethoxy)benzamide
SMILESO=C(N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(OC(F)F)c(OC2CCCC2)c1
InChIInChI=1S/C24H26F2N2O4/c25-24(26)32-20-11-10-17(14-21(20)31-18-8-4-5-9-18)22(29)27-19-12-13-28(23(19)30)15-16-6-2-1-3-7-16/h1-3,6-7,10-11,14,18-19,24H,4-5,8-9,12-13,15H2,(H,27,29)/t19-/m0/s1
InChIKeyPWARMGPXJURQSP-IBGZPJMESA-N
XLogP4.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-bis(difluoromethoxy)-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide
CID 10025470
N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 95589689
3-cyclopentyloxy-4-methoxy-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide
CID 10409183
N-[1-[(4-chlorophenyl)methyl]-2-oxoazepan-3-yl]-3,4-difluorobenzamide
CID 53488317
3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
CID 21187878
3-cyclopentyloxy-4-methoxy-N-[(3S)-1-[(3-methylphenyl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide
CID 67556598
(2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide
CID 119308609
3-cyclopentyloxy-N-[(3S)-2,5-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzamide
CID 10255000
4-methoxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 97280716
3,4-bis(difluoromethoxy)-N-[(3S)-1-(1,2-dihydropyridin-4-ylmethyl)-2,6-dioxopiperidin-3-yl]benzamide
CID 142869389
2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977235
N-(1-benzyl-2-oxopyrrolidin-3-yl)quinoline-2-carboxamide
CID 51127250

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-cyclopentyloxy-4-(difluoromethoxy)benzamide?
The IUPAC name of N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-cyclopentyloxy-4-(difluoromethoxy)benzamide (CID 11744168) is N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-cyclopentyloxy-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-cyclopentyloxy-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-cyclopentyloxy-4-(difluoromethoxy)benzamide is O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(OC(F)F)c(OC2CCCC2)c1.
What is the InChIKey of N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-cyclopentyloxy-4-(difluoromethoxy)benzamide?
The InChIKey is PWARMGPXJURQSP-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26F2N2O4/c25-24(26)32-20-11-10-17(14-21(20)31-18-8-4-5-9-18)22(29)27-19-12-13-28(23(19)30)15-16-6-2-1-3-7-16/h1-3,6-7,10-11,14,18-19,24H,4-5,8-9,12-13,15H2,(H,27,29)/t19-/m0/s1.
What are the key properties of N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-cyclopentyloxy-4-(difluoromethoxy)benzamide?
N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-cyclopentyloxy-4-(difluoromethoxy)benzamide has a molecular weight of 444.48 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-cyclopentyloxy-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 11744168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).