2-[4-(difluoromethoxy)phenyl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide

C21H22F2N2O3 — CID 47089557

IUPAC2-[4-(difluoromethoxy)phenyl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCc1c(NC(=O)Cc2ccc(OC(F)F)cc2)cccc1C(=O)N1CCCC1
InChIInChI=1S/C21H22F2N2O3/c1-14-17(20(27)25-11-2-3-12-25)5-4-6-18(14)24-19(26)13-15-7-9-16(10-8-15)28-21(22)23/h4-10,21H,2-3,11-13H2,1H3,(H,24,26)
InChIKeyOJJAVLIHKCCEGD-UHFFFAOYSA-N
MW388.41 g/mol
LogP4.01
Rot. Bonds6

About 2-[4-(difluoromethoxy)phenyl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-[4-(difluoromethoxy)phenyl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 47089557) has the molecular formula C21H22F2N2O3 and a molecular weight of 388.41 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID47089557
Molecular FormulaC21H22F2N2O3
Molecular Weight388.41 g/mol
Exact Mass388.16
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCc1c(NC(=O)Cc2ccc(OC(F)F)cc2)cccc1C(=O)N1CCCC1
InChIInChI=1S/C21H22F2N2O3/c1-14-17(20(27)25-11-2-3-12-25)5-4-6-18(14)24-19(26)13-15-7-9-16(10-8-15)28-21(22)23/h4-10,21H,2-3,11-13H2,1H3,(H,24,26)
InChIKeyOJJAVLIHKCCEGD-UHFFFAOYSA-N
XLogP4.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 35276883
2-(4-aminophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119760315
3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119310023
4-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 120561704
N-[2-(piperidine-1-carbonyl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55738403
2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 168521727
3-(4-bromo-2-fluorophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 52815742
2-(1-hydroxycyclohexyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 111332036
2-(4-aminophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54795746
3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylbenzoate
CID 4176095
N-(3-chloro-2-morpholin-4-ylphenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 30461638
2-(4-acetamidophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 78806404

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 47089557) is 2-[4-(difluoromethoxy)phenyl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide is Cc1c(NC(=O)Cc2ccc(OC(F)F)cc2)cccc1C(=O)N1CCCC1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is OJJAVLIHKCCEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O3/c1-14-17(20(27)25-11-2-3-12-25)5-4-6-18(14)24-19(26)13-15-7-9-16(10-8-15)28-21(22)23/h4-10,21H,2-3,11-13H2,1H3,(H,24,26).
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-[4-(difluoromethoxy)phenyl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 388.41 g/mol, XLogP of 4.01, 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-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 47089557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).