N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(pyrrolidin-1-ylmethyl)benzamide

C22H26F2N2O2 — CID 60560678

IUPACN-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(pyrrolidin-1-ylmethyl)benzamide
SMILESCCC(NC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1OC(F)F
InChIInChI=1S/C22H26F2N2O2/c1-2-19(18-10-3-4-11-20(18)28-22(23)24)25-21(27)17-9-7-8-16(14-17)15-26-12-5-6-13-26/h3-4,7-11,14,19,22H,2,5-6,12-13,15H2,1H3,(H,25,27)
InChIKeyNSHRNPNSNOAQBD-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.76
Rot. Bonds8

About N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(pyrrolidin-1-ylmethyl)benzamide

N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 60560678) has the molecular formula C22H26F2N2O2 and a molecular weight of 388.46 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID60560678
Molecular FormulaC22H26F2N2O2
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(pyrrolidin-1-ylmethyl)benzamide
SMILESCCC(NC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1OC(F)F
InChIInChI=1S/C22H26F2N2O2/c1-2-19(18-10-3-4-11-20(18)28-22(23)24)25-21(27)17-9-7-8-16(14-17)15-26-12-5-6-13-26/h3-4,7-11,14,19,22H,2,5-6,12-13,15H2,1H3,(H,25,27)
InChIKeyNSHRNPNSNOAQBD-UHFFFAOYSA-N
XLogP4.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(pyrrolidin-1-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(difluoromethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560740
3-acetamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]benzamide
CID 42959688
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55672746
(2S,3S)-3-methyl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]pentanoic acid
CID 92929044
2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]propanoic acid
CID 82043303
N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide
CID 119037362
N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 34696990
N-[(1S)-1-cyanobutyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 95284180
3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 60560548
4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide
CID 56545716
N-butan-2-yl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 42850796
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112844401

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(pyrrolidin-1-ylmethyl)benzamide (CID 60560678) is N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(pyrrolidin-1-ylmethyl)benzamide is CCC(NC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is NSHRNPNSNOAQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O2/c1-2-19(18-10-3-4-11-20(18)28-22(23)24)25-21(27)17-9-7-8-16(14-17)15-26-12-5-6-13-26/h3-4,7-11,14,19,22H,2,5-6,12-13,15H2,1H3,(H,25,27).
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 388.46 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 60560678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).