(2R)-1-(2,5-dichlorobenzoyl)-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide

C17H23Cl2N3O2 — CID 95611412

IUPAC(2R)-1-(2,5-dichlorobenzoyl)-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide
SMILESCN(C)CCCNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H23Cl2N3O2/c1-21(2)9-4-8-20-16(23)15-5-3-10-22(15)17(24)13-11-12(18)6-7-14(13)19/h6-7,11,15H,3-5,8-10H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyGKYNQFQVDFXGOG-OAHLLOKOSA-N
MW372.30 g/mol
LogP2.67
Rot. Bonds6

About (2R)-1-(2,5-dichlorobenzoyl)-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide

(2R)-1-(2,5-dichlorobenzoyl)-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide (PubChem CID 95611412) has the molecular formula C17H23Cl2N3O2 and a molecular weight of 372.30 g/mol. Its IUPAC name is (2R)-1-(2,5-dichlorobenzoyl)-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(2,5-dichlorobenzoyl)-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide
PubChem CID95611412
Molecular FormulaC17H23Cl2N3O2
Molecular Weight372.30 g/mol
Exact Mass371.12
IUPAC Name(2R)-1-(2,5-dichlorobenzoyl)-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide
SMILESCN(C)CCCNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H23Cl2N3O2/c1-21(2)9-4-8-20-16(23)15-5-3-10-22(15)17(24)13-11-12(18)6-7-14(13)19/h6-7,11,15H,3-5,8-10H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyGKYNQFQVDFXGOG-OAHLLOKOSA-N
XLogP2.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dichlorobenzoyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide
CID 60589598
1-(2,5-dichlorobenzoyl)-N-[3-(3-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide
CID 55721754
1-(2,5-dichlorobenzoyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrrolidine-2-carboxamide
CID 55618324
2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid
CID 119171180
1-(2,5-dichlorobenzoyl)-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 55607440
1-(2,5-dichlorobenzoyl)-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 55605567
(2S)-1-(2,5-dichlorobenzoyl)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 52908800
propan-2-yl (2S)-3-[[(2S)-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]-2-methylpropanoate
CID 97018653
(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide
CID 8794951
N-[(2S)-1-aminopropan-2-yl]-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120507098
N-(3-aminobutyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119496267
(2S)-1-(5-chloro-2-methoxybenzoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 95271430

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,5-dichlorobenzoyl)-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(2,5-dichlorobenzoyl)-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide (CID 95611412) is (2R)-1-(2,5-dichlorobenzoyl)-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(2,5-dichlorobenzoyl)-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(2,5-dichlorobenzoyl)-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide is CN(C)CCCNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2R)-1-(2,5-dichlorobenzoyl)-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide?
The InChIKey is GKYNQFQVDFXGOG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23Cl2N3O2/c1-21(2)9-4-8-20-16(23)15-5-3-10-22(15)17(24)13-11-12(18)6-7-14(13)19/h6-7,11,15H,3-5,8-10H2,1-2H3,(H,20,23)/t15-/m1/s1.
What are the key properties of (2R)-1-(2,5-dichlorobenzoyl)-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide?
(2R)-1-(2,5-dichlorobenzoyl)-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide has a molecular weight of 372.30 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,5-dichlorobenzoyl)-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95611412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).