(2S)-1-(3,5-dichlorobenzoyl)-N-[(3R)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide

C16H17Cl2N3O3 — CID 97341964

IUPAC(2S)-1-(3,5-dichlorobenzoyl)-N-[(3R)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESO=C1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CN1
InChIInChI=1S/C16H17Cl2N3O3/c17-10-4-9(5-11(18)6-10)16(24)21-3-1-2-13(21)15(23)20-12-7-14(22)19-8-12/h4-6,12-13H,1-3,7-8H2,(H,19,22)(H,20,23)/t12-,13+/m1/s1
InChIKeyKFBPNVNHJDBVNC-OLZOCXBDSA-N
MW370.24 g/mol
LogP1.60
Rot. Bonds3

About (2S)-1-(3,5-dichlorobenzoyl)-N-[(3R)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide

(2S)-1-(3,5-dichlorobenzoyl)-N-[(3R)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide (PubChem CID 97341964) has the molecular formula C16H17Cl2N3O3 and a molecular weight of 370.24 g/mol. Its IUPAC name is (2S)-1-(3,5-dichlorobenzoyl)-N-[(3R)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(3,5-dichlorobenzoyl)-N-[(3R)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
PubChem CID97341964
Molecular FormulaC16H17Cl2N3O3
Molecular Weight370.24 g/mol
Exact Mass369.06
IUPAC Name(2S)-1-(3,5-dichlorobenzoyl)-N-[(3R)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESO=C1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CN1
InChIInChI=1S/C16H17Cl2N3O3/c17-10-4-9(5-11(18)6-10)16(24)21-3-1-2-13(21)15(23)20-12-7-14(22)19-8-12/h4-6,12-13H,1-3,7-8H2,(H,19,22)(H,20,23)/t12-,13+/m1/s1
InChIKeyKFBPNVNHJDBVNC-OLZOCXBDSA-N
XLogP1.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(3,5-dichlorobenzoyl)-N-[(3R)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 119455251
1-acetyl-N-(5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide
CID 138042778
methyl (2S)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 2337414
1-(3,4-dichlorobenzoyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 119453399
1-(3-chlorobenzoyl)-N-(5-oxopyrrolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 154856551
N-[1-[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]acetamide
CID 49347636
1-(3,5-dichlorobenzoyl)-N-(4-hydroxybutan-2-yl)pyrrolidine-2-carboxamide
CID 71847723
1-(3,5-dichlorobenzoyl)-N-[3-(methylamino)propyl]pyrrolidine-2-carboxamide
CID 119429601
3-[[1-(3,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]butanoic acid
CID 119221005
[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487679
N-(2-amino-1-cyclopropylethyl)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 119612884
methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
CID 79833341

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,5-dichlorobenzoyl)-N-[(3R)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(3,5-dichlorobenzoyl)-N-[(3R)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide (CID 97341964) is (2S)-1-(3,5-dichlorobenzoyl)-N-[(3R)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(3,5-dichlorobenzoyl)-N-[(3R)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(3,5-dichlorobenzoyl)-N-[(3R)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide is O=C1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CN1.
What is the InChIKey of (2S)-1-(3,5-dichlorobenzoyl)-N-[(3R)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is KFBPNVNHJDBVNC-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3/c17-10-4-9(5-11(18)6-10)16(24)21-3-1-2-13(21)15(23)20-12-7-14(22)19-8-12/h4-6,12-13H,1-3,7-8H2,(H,19,22)(H,20,23)/t12-,13+/m1/s1.
What are the key properties of (2S)-1-(3,5-dichlorobenzoyl)-N-[(3R)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
(2S)-1-(3,5-dichlorobenzoyl)-N-[(3R)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 370.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,5-dichlorobenzoyl)-N-[(3R)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 97341964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).