3-(difluoromethoxy)-N-methyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide

C20H22F2N2O2 — CID 96581020

IUPAC3-(difluoromethoxy)-N-methyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide
SMILESCN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C20H22F2N2O2/c1-23(19(25)16-6-5-9-18(12-16)26-20(21)22)13-15-10-11-24(14-15)17-7-3-2-4-8-17/h2-9,12,15,20H,10-11,13-14H2,1H3/t15-/m0/s1
InChIKeyPKHABXYVWZCOTP-HNNXBMFYSA-N
MW360.40 g/mol
LogP3.89
Rot. Bonds6

About 3-(difluoromethoxy)-N-methyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide

3-(difluoromethoxy)-N-methyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide (PubChem CID 96581020) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-methyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-methyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide
PubChem CID96581020
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name3-(difluoromethoxy)-N-methyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide
SMILESCN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C20H22F2N2O2/c1-23(19(25)16-6-5-9-18(12-16)26-20(21)22)13-15-10-11-24(14-15)17-7-3-2-4-8-17/h2-9,12,15,20H,10-11,13-14H2,1H3/t15-/m0/s1
InChIKeyPKHABXYVWZCOTP-HNNXBMFYSA-N
XLogP3.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-amino-2-oxoethoxy)-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 97133696
2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 95210396
N,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 96575921
2-cyano-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 70778468
N,1-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 96578217
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 55170280
4-(difluoromethoxy)-N-[[1-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]piperidin-4-yl]methyl]-N-methylbenzamide
CID 176815247
1-[[4-(difluoromethoxy)phenyl]methyl]-1,2-dimethyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 111288233
N-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
CID 112790356
N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 70739845
1-ethyl-N-methyl-3-(2-methylpropyl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-5-carboxamide
CID 96574954

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-methyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-methyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide (CID 96581020) is 3-(difluoromethoxy)-N-methyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-methyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-methyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide is CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-methyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide?
The InChIKey is PKHABXYVWZCOTP-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c1-23(19(25)16-6-5-9-18(12-16)26-20(21)22)13-15-10-11-24(14-15)17-7-3-2-4-8-17/h2-9,12,15,20H,10-11,13-14H2,1H3/t15-/m0/s1.
What are the key properties of 3-(difluoromethoxy)-N-methyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide?
3-(difluoromethoxy)-N-methyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide has a molecular weight of 360.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-methyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 96581020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).