4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide

C21H24F2N2O3 — CID 43005704

IUPAC4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1cccc(C(CNC(=O)c2ccc(OC(F)F)cc2)N2CCCC2)c1
InChIInChI=1S/C21H24F2N2O3/c1-27-18-6-4-5-16(13-18)19(25-11-2-3-12-25)14-24-20(26)15-7-9-17(10-8-15)28-21(22)23/h4-10,13,19,21H,2-3,11-12,14H2,1H3,(H,24,26)
InChIKeyUFGSWJQNVGNYTD-UHFFFAOYSA-N
MW390.43 g/mol
LogP3.86
Rot. Bonds8

About 4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide

4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 43005704) has the molecular formula C21H24F2N2O3 and a molecular weight of 390.43 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID43005704
Molecular FormulaC21H24F2N2O3
Molecular Weight390.43 g/mol
Exact Mass390.18
IUPAC Name4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1cccc(C(CNC(=O)c2ccc(OC(F)F)cc2)N2CCCC2)c1
InChIInChI=1S/C21H24F2N2O3/c1-27-18-6-4-5-16(13-18)19(25-11-2-3-12-25)14-24-20(26)15-7-9-17(10-8-15)28-21(22)23/h4-10,13,19,21H,2-3,11-12,14H2,1H3,(H,24,26)
InChIKeyUFGSWJQNVGNYTD-UHFFFAOYSA-N
XLogP3.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005778
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 112506809
4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563
3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005771
3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005762
N-[2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 27769915
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide
CID 78803328
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
ethyl N-[4-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]carbamate
CID 46446884
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
2,6-dimethoxy-N-[2-(3-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 112506691

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (CID 43005704) is 4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is COc1cccc(C(CNC(=O)c2ccc(OC(F)F)cc2)N2CCCC2)c1.
What is the InChIKey of 4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is UFGSWJQNVGNYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O3/c1-27-18-6-4-5-16(13-18)19(25-11-2-3-12-25)14-24-20(26)15-7-9-17(10-8-15)28-21(22)23/h4-10,13,19,21H,2-3,11-12,14H2,1H3,(H,24,26).
What are the key properties of 4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 390.43 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 43005704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).