(2R)-1-acetyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide

C18H19FN2O3 — CID 125447070

IUPAC(2R)-1-acetyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H19FN2O3/c1-12(22)21-10-2-3-16(21)18(23)20-11-15-8-9-17(24-15)13-4-6-14(19)7-5-13/h4-9,16H,2-3,10-11H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyKVHVBJUJUFNGBP-MRXNPFEDSA-N
MW330.36 g/mol
LogP2.71
Rot. Bonds4

About (2R)-1-acetyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide

(2R)-1-acetyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 125447070) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is (2R)-1-acetyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID125447070
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name(2R)-1-acetyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H19FN2O3/c1-12(22)21-10-2-3-16(21)18(23)20-11-15-8-9-17(24-15)13-4-6-14(19)7-5-13/h4-9,16H,2-3,10-11H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyKVHVBJUJUFNGBP-MRXNPFEDSA-N
XLogP2.71
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]cyclopropanecarboxamide
CID 36895021
1-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 47162787
2-N-[(4-fluorophenyl)methyl]-1-N,1-N-dimethylpyrrolidine-1,2-dicarboxamide
CID 159386470
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110319170
N-[(4-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170385944
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512
(2R)-1-N-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468552
N-[[5-(4-bromophenyl)furan-2-yl]methyl]oxolane-2-carboxamide
CID 24646075
(2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 53302967
tert-butyl 2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 110632203
(2S)-1-acetyl-N-[[(2S)-7-fluoro-5-(3-fluoro-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrrolidine-2-carboxamide
CID 42347696
(2S)-1-(5-amino-3-oxohex-4-enoyl)-N-[[4-(1H-pyrrol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 147205876

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-acetyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide (CID 125447070) is (2R)-1-acetyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-acetyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide is CC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of (2R)-1-acetyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is KVHVBJUJUFNGBP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-12(22)21-10-2-3-16(21)18(23)20-11-15-8-9-17(24-15)13-4-6-14(19)7-5-13/h4-9,16H,2-3,10-11H2,1H3,(H,20,23)/t16-/m1/s1.
What are the key properties of (2R)-1-acetyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide?
(2R)-1-acetyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 125447070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).