(2S)-N-(3-benzamidopropyl)-1-(3-chloropropanoyl)pyrrolidine-2-carboxamide

C18H24ClN3O3 — CID 51071313

IUPAC(2S)-N-(3-benzamidopropyl)-1-(3-chloropropanoyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCNC(=O)[C@@H]1CCCN1C(=O)CCCl)c1ccccc1
InChIInChI=1S/C18H24ClN3O3/c19-10-9-16(23)22-13-4-8-15(22)18(25)21-12-5-11-20-17(24)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,20,24)(H,21,25)/t15-/m0/s1
InChIKeyAHISZJCWLPZOMV-HNNXBMFYSA-N
MW365.86 g/mol
LogP1.54
Rot. Bonds8

About (2S)-N-(3-benzamidopropyl)-1-(3-chloropropanoyl)pyrrolidine-2-carboxamide

(2S)-N-(3-benzamidopropyl)-1-(3-chloropropanoyl)pyrrolidine-2-carboxamide (PubChem CID 51071313) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is (2S)-N-(3-benzamidopropyl)-1-(3-chloropropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-benzamidopropyl)-1-(3-chloropropanoyl)pyrrolidine-2-carboxamide
PubChem CID51071313
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name(2S)-N-(3-benzamidopropyl)-1-(3-chloropropanoyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCNC(=O)[C@@H]1CCCN1C(=O)CCCl)c1ccccc1
InChIInChI=1S/C18H24ClN3O3/c19-10-9-16(23)22-13-4-8-15(22)18(25)21-12-5-11-20-17(24)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,20,24)(H,21,25)/t15-/m0/s1
InChIKeyAHISZJCWLPZOMV-HNNXBMFYSA-N
XLogP1.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(3-benzamidopropyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 24720594
(2R)-N-(2-benzamidoethyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 24720617
(2S)-1-benzoyl-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 39984741
(2R)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 46105660
(2S)-N-(2-benzamidoethyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide
CID 51071464
(2R)-N-(3-benzamidopropyl)-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide
CID 42878811
(2S)-N-(2-benzamidoethyl)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 51066683
(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 42879455
N-[2-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 60584974
(2R)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 46105589
(2S)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 51071444
(2S)-N-(4-benzamidocyclohexyl)-1-octanoylpyrrolidine-2-carboxamide
CID 51071438

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-benzamidopropyl)-1-(3-chloropropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-benzamidopropyl)-1-(3-chloropropanoyl)pyrrolidine-2-carboxamide (CID 51071313) is (2S)-N-(3-benzamidopropyl)-1-(3-chloropropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-benzamidopropyl)-1-(3-chloropropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-benzamidopropyl)-1-(3-chloropropanoyl)pyrrolidine-2-carboxamide is O=C(NCCCNC(=O)[C@@H]1CCCN1C(=O)CCCl)c1ccccc1.
What is the InChIKey of (2S)-N-(3-benzamidopropyl)-1-(3-chloropropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is AHISZJCWLPZOMV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c19-10-9-16(23)22-13-4-8-15(22)18(25)21-12-5-11-20-17(24)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,20,24)(H,21,25)/t15-/m0/s1.
What are the key properties of (2S)-N-(3-benzamidopropyl)-1-(3-chloropropanoyl)pyrrolidine-2-carboxamide?
(2S)-N-(3-benzamidopropyl)-1-(3-chloropropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-benzamidopropyl)-1-(3-chloropropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51071313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).