5-(aminomethyl)-N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-2-carboxamide

C17H18ClN3O3 — CID 124684296

IUPAC5-(aminomethyl)-N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(CN)o1)[C@H]1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C17H18ClN3O3/c1-20(17(23)15-7-6-11(10-19)24-15)14-8-9-21(16(14)22)13-5-3-2-4-12(13)18/h2-7,14H,8-10,19H2,1H3/t14-/m0/s1
InChIKeyDDIJSTQNIVWTRF-AWEZNQCLSA-N
MW347.80 g/mol
LogP2.27
Rot. Bonds4

About 5-(aminomethyl)-N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-2-carboxamide

5-(aminomethyl)-N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-2-carboxamide (PubChem CID 124684296) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-2-carboxamide
PubChem CID124684296
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name5-(aminomethyl)-N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(CN)o1)[C@H]1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C17H18ClN3O3/c1-20(17(23)15-7-6-11(10-19)24-15)14-8-9-21(16(14)22)13-5-3-2-4-12(13)18/h2-7,14H,8-10,19H2,1H3/t14-/m0/s1
InChIKeyDDIJSTQNIVWTRF-AWEZNQCLSA-N
XLogP2.27
TPSA79.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-3-carboxamide
CID 95310213
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-(methylamino)acetamide
CID 119783339
5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid
CID 124687628
4-(aminomethyl)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyloxane-4-carboxamide
CID 120932426
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbutanamide;hydrochloride
CID 119783358
2-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-phenylacetamide;hydrochloride
CID 119323471
3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414900
1-(2-chlorophenyl)-3-[4-hydroxybutyl(methyl)amino]pyrrolidin-2-one
CID 111113627
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119951461
1-[[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124590941
(2S)-2-amino-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-4-methylsulfanylbutanamide
CID 124594983
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 136524922

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-2-carboxamide (CID 124684296) is 5-(aminomethyl)-N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-2-carboxamide is CN(C(=O)c1ccc(CN)o1)[C@H]1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of 5-(aminomethyl)-N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-2-carboxamide?
The InChIKey is DDIJSTQNIVWTRF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-20(17(23)15-7-6-11(10-19)24-15)14-8-9-21(16(14)22)13-5-3-2-4-12(13)18/h2-7,14H,8-10,19H2,1H3/t14-/m0/s1.
What are the key properties of 5-(aminomethyl)-N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-2-carboxamide?
5-(aminomethyl)-N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-2-carboxamide has a molecular weight of 347.80 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 124684296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).