2-[4-(difluoromethoxy)phenyl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide

C20H22F2N2O2 — CID 33236991

IUPAC2-[4-(difluoromethoxy)phenyl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1cc(NC(=O)Cc2ccc(OC(F)F)cc2)ccc1N1CCCC1
InChIInChI=1S/C20H22F2N2O2/c1-14-12-16(6-9-18(14)24-10-2-3-11-24)23-19(25)13-15-4-7-17(8-5-15)26-20(21)22/h4-9,12,20H,2-3,10-11,13H2,1H3,(H,23,25)
InChIKeyBWQUKIVRMIIXMK-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.38
Rot. Bonds6

About 2-[4-(difluoromethoxy)phenyl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide

2-[4-(difluoromethoxy)phenyl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 33236991) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID33236991
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1cc(NC(=O)Cc2ccc(OC(F)F)cc2)ccc1N1CCCC1
InChIInChI=1S/C20H22F2N2O2/c1-14-12-16(6-9-18(14)24-10-2-3-11-24)23-19(25)13-15-4-7-17(8-5-15)26-20(21)22/h4-9,12,20H,2-3,10-11,13H2,1H3,(H,23,25)
InChIKeyBWQUKIVRMIIXMK-UHFFFAOYSA-N
XLogP4.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-N-(4-methylphenyl)acetamide
CID 33142215
N-(4-acetamidophenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 35049094
2-(2,6-dichlorophenyl)-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 55451728
2-(4-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51273382
2-(4-bromophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 38172833
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide
CID 27050656
2-[4-(difluoromethoxy)phenyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 55383002
2-[4-(difluoromethoxy)phenyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 110879156
2-[4-(difluoromethoxy)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 35621741
N-[4-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27147330
3-[4-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120541324
2-[4-(difluoromethoxy)phenyl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 47089557

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide (CID 33236991) is 2-[4-(difluoromethoxy)phenyl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide is Cc1cc(NC(=O)Cc2ccc(OC(F)F)cc2)ccc1N1CCCC1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is BWQUKIVRMIIXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c1-14-12-16(6-9-18(14)24-10-2-3-11-24)23-19(25)13-15-4-7-17(8-5-15)26-20(21)22/h4-9,12,20H,2-3,10-11,13H2,1H3,(H,23,25).
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
2-[4-(difluoromethoxy)phenyl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 360.40 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 33236991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).