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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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).