N-[(3S,4R)-1-[2-(2-chloro-4-fluorophenyl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide

C19H20ClFN2O3 — CID 72877340

IUPACN-[(3S,4R)-1-[2-(2-chloro-4-fluorophenyl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)Cc2ccc(F)cc2Cl)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C19H20ClFN2O3/c1-11-3-6-18(26-11)15-9-23(10-17(15)22-12(2)24)19(25)7-13-4-5-14(21)8-16(13)20/h3-6,8,15,17H,7,9-10H2,1-2H3,(H,22,24)/t15-,17-/m1/s1
InChIKeyJFBZPSUUCNZSGY-NVXWUHKLSA-N
MW378.83 g/mol
LogP3.05
Rot. Bonds4

About N-[(3S,4R)-1-[2-(2-chloro-4-fluorophenyl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-[2-(2-chloro-4-fluorophenyl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide (PubChem CID 72877340) has the molecular formula C19H20ClFN2O3 and a molecular weight of 378.83 g/mol. Its IUPAC name is N-[(3S,4R)-1-[2-(2-chloro-4-fluorophenyl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[2-(2-chloro-4-fluorophenyl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
PubChem CID72877340
Molecular FormulaC19H20ClFN2O3
Molecular Weight378.83 g/mol
Exact Mass378.11
IUPAC NameN-[(3S,4R)-1-[2-(2-chloro-4-fluorophenyl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)Cc2ccc(F)cc2Cl)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C19H20ClFN2O3/c1-11-3-6-18(26-11)15-9-23(10-17(15)22-12(2)24)19(25)7-13-4-5-14(21)8-16(13)20/h3-6,8,15,17H,7,9-10H2,1-2H3,(H,22,24)/t15-,17-/m1/s1
InChIKeyJFBZPSUUCNZSGY-NVXWUHKLSA-N
XLogP3.05
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,4R)-1-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
CID 70773384
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CID 70781931
N-[(3S,4R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
CID 72844670
N-[4-(5-methylfuran-2-yl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]pyrrolidin-3-yl]acetamide
CID 156606543
1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 136555273
N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-2-(2-chloro-4-fluorophenyl)acetamide
CID 72839309
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CID 70766709
2-(2-chloro-4-fluorophenyl)-1-[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 99703392
2-(2-chloro-4-fluorophenyl)-1-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 99703393
N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[[3-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 72919150
1-[2-(2-chloro-4-fluorophenyl)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122113095
N-[(3S,4R)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 70735467

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[2-(2-chloro-4-fluorophenyl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[2-(2-chloro-4-fluorophenyl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide (CID 72877340) is N-[(3S,4R)-1-[2-(2-chloro-4-fluorophenyl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[2-(2-chloro-4-fluorophenyl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[2-(2-chloro-4-fluorophenyl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(C(=O)Cc2ccc(F)cc2Cl)C[C@H]1c1ccc(C)o1.
What is the InChIKey of N-[(3S,4R)-1-[2-(2-chloro-4-fluorophenyl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is JFBZPSUUCNZSGY-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H20ClFN2O3/c1-11-3-6-18(26-11)15-9-23(10-17(15)22-12(2)24)19(25)7-13-4-5-14(21)8-16(13)20/h3-6,8,15,17H,7,9-10H2,1-2H3,(H,22,24)/t15-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-1-[2-(2-chloro-4-fluorophenyl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[2-(2-chloro-4-fluorophenyl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 378.83 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[2-(2-chloro-4-fluorophenyl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72877340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).