N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-dimethoxybenzamide

C20H22F2N2O3 — CID 51126349

IUPACN-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCN(c3ccc(F)c(F)c3)C2)cc1OC
InChIInChI=1S/C20H22F2N2O3/c1-26-18-6-3-14(9-19(18)27-2)20(25)23-11-13-7-8-24(12-13)15-4-5-16(21)17(22)10-15/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,23,25)
InChIKeyQNOHYZRTODZSRQ-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.24
Rot. Bonds6

About N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-dimethoxybenzamide

N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-dimethoxybenzamide (PubChem CID 51126349) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-dimethoxybenzamide
PubChem CID51126349
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC NameN-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC2CCN(c3ccc(F)c(F)c3)C2)cc1OC
InChIInChI=1S/C20H22F2N2O3/c1-26-18-6-3-14(9-19(18)27-2)20(25)23-11-13-7-8-24(12-13)15-4-5-16(21)17(22)10-15/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,23,25)
InChIKeyQNOHYZRTODZSRQ-UHFFFAOYSA-N
XLogP3.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640456
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
N-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(methylamino)acetamide
CID 100647189
3,4-dimethoxy-N-[[1-(3-methylbut-2-enoyl)piperidin-4-yl]methyl]benzamide
CID 108935524
2-(difluoromethyl)-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 56513994
1-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3-[(2S,3R)-3-methoxybutan-2-yl]urea
CID 99858165
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 95214625
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide
CID 106124772
N-[3-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]propyl]-3-fluorobenzamide
CID 86937278
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 86848786
tert-butyl N-[[4-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-yl]methyl]carbamate
CID 99788541
methyl 3-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]propanoate
CID 83981606

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-dimethoxybenzamide (CID 51126349) is N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC2CCN(c3ccc(F)c(F)c3)C2)cc1OC.
What is the InChIKey of N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-dimethoxybenzamide?
The InChIKey is QNOHYZRTODZSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-26-18-6-3-14(9-19(18)27-2)20(25)23-11-13-7-8-24(12-13)15-4-5-16(21)17(22)10-15/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,23,25).
What are the key properties of N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-dimethoxybenzamide?
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-dimethoxybenzamide has a molecular weight of 376.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 51126349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).