N-(2,5-dichlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)acetamide

C12H12Cl2F2N2O — CID 171701418

IUPACN-(2,5-dichlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCC(F)(F)C1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H12Cl2F2N2O/c13-8-1-2-9(14)10(5-8)17-11(19)6-18-4-3-12(15,16)7-18/h1-2,5H,3-4,6-7H2,(H,17,19)
InChIKeySDUKCYNDNGHYDT-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.27
Rot. Bonds3

About N-(2,5-dichlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)acetamide

N-(2,5-dichlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)acetamide (PubChem CID 171701418) has the molecular formula C12H12Cl2F2N2O and a molecular weight of 309.14 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)acetamide
PubChem CID171701418
Molecular FormulaC12H12Cl2F2N2O
Molecular Weight309.14 g/mol
Exact Mass308.03
IUPAC NameN-(2,5-dichlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCC(F)(F)C1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H12Cl2F2N2O/c13-8-1-2-9(14)10(5-8)17-11(19)6-18-4-3-12(15,16)7-18/h1-2,5H,3-4,6-7H2,(H,17,19)
InChIKeySDUKCYNDNGHYDT-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6465282
N-(2-chlorophenyl)-2-(3,3-difluoroazetidin-1-yl)acetamide
CID 171701399
N-(2,5-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 7949022
N-(2,5-dichlorophenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195718
N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103355475
N-(2,5-dichlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 2120382
N-(2,5-dichlorophenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
CID 172904520
2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 46663083
2-(4-cyanopiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 48940747
2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride
CID 119906433
1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147604
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,5-dichlorophenyl)acetamide
CID 60972401

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)acetamide (CID 171701418) is N-(2,5-dichlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)acetamide is O=C(CN1CCC(F)(F)C1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)acetamide?
The InChIKey is SDUKCYNDNGHYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2F2N2O/c13-8-1-2-9(14)10(5-8)17-11(19)6-18-4-3-12(15,16)7-18/h1-2,5H,3-4,6-7H2,(H,17,19).
What are the key properties of N-(2,5-dichlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)acetamide?
N-(2,5-dichlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)acetamide has a molecular weight of 309.14 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(3,3-difluoropyrrolidin-1-yl)acetamide is sourced from PubChem (CID 171701418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).