N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide

C19H23Cl2N3O — CID 8973689

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCn1cccc1[C@H]1CCCN1CC(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H23Cl2N3O/c1-23-10-2-4-17(23)18-5-3-11-24(18)13-19(25)22-9-8-14-6-7-15(20)12-16(14)21/h2,4,6-7,10,12,18H,3,5,8-9,11,13H2,1H3,(H,22,25)/t18-/m1/s1
InChIKeyYPKHVPZKKLWQCJ-GOSISDBHSA-N
MW380.32 g/mol
LogP3.83
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide

N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide (PubChem CID 8973689) has the molecular formula C19H23Cl2N3O and a molecular weight of 380.32 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
PubChem CID8973689
Molecular FormulaC19H23Cl2N3O
Molecular Weight380.32 g/mol
Exact Mass379.12
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCn1cccc1[C@H]1CCCN1CC(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H23Cl2N3O/c1-23-10-2-4-17(23)18-5-3-11-24(18)13-19(25)22-9-8-14-6-7-15(20)12-16(14)21/h2,4,6-7,10,12,18H,3,5,8-9,11,13H2,1H3,(H,22,25)/t18-/m1/s1
InChIKeyYPKHVPZKKLWQCJ-GOSISDBHSA-N
XLogP3.83
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8976486
N-[(3-chlorophenyl)methyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8975591
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrrolidine-2-carboxamide
CID 110856253
methyl (3S)-2-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 8758883
N,N-diethyl-4-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 8974677
N-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8976052
2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 124818050
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8975070
N-(4-ethoxyphenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8973188
2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 8976439
N-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide
CID 110866286
N-[2-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 42759469

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide (CID 8973689) is N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide is Cn1cccc1[C@H]1CCCN1CC(=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is YPKHVPZKKLWQCJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23Cl2N3O/c1-23-10-2-4-17(23)18-5-3-11-24(18)13-19(25)22-9-8-14-6-7-15(20)12-16(14)21/h2,4,6-7,10,12,18H,3,5,8-9,11,13H2,1H3,(H,22,25)/t18-/m1/s1.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 380.32 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 8973689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).