N-(3-acetamido-4-chlorophenyl)-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide

C17H21ClN4O2 — CID 71870359

IUPACN-(3-acetamido-4-chlorophenyl)-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)N2CCC(N3CC=CC3)C2)ccc1Cl
InChIInChI=1S/C17H21ClN4O2/c1-12(23)19-16-10-13(4-5-15(16)18)20-17(24)22-9-6-14(11-22)21-7-2-3-8-21/h2-5,10,14H,6-9,11H2,1H3,(H,19,23)(H,20,24)
InChIKeyDOQMDKCIKFIEEK-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.78
Rot. Bonds3

About N-(3-acetamido-4-chlorophenyl)-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide

N-(3-acetamido-4-chlorophenyl)-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide (PubChem CID 71870359) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(3-acetamido-4-chlorophenyl)-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-chlorophenyl)-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
PubChem CID71870359
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-(3-acetamido-4-chlorophenyl)-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)N2CCC(N3CC=CC3)C2)ccc1Cl
InChIInChI=1S/C17H21ClN4O2/c1-12(23)19-16-10-13(4-5-15(16)18)20-17(24)22-9-6-14(11-22)21-7-2-3-8-21/h2-5,10,14H,6-9,11H2,1H3,(H,19,23)(H,20,24)
InChIKeyDOQMDKCIKFIEEK-UHFFFAOYSA-N
XLogP2.78
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(2,5-dihydropyrrol-1-yl)-N-[3-(methylsulfanylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 98349166
N-(3-chloro-2-propan-2-yloxyphenyl)-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 71870273
N-(3-acetamido-4-chlorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 86845064
(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 98345366
(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[6-(2-methylpropoxy)-3-pyridinyl]pyrrolidine-1-carboxamide
CID 98349135
N-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide
CID 47408126
N-(3-acetamido-4-chlorophenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015470
4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 79867440
N-(5-acetamido-2-chlorophenyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48641749
(3R)-3-(2,5-dihydropyrrol-1-yl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
CID 98349320
N-(3-acetamido-4-chlorophenyl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide
CID 86791140
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-chlorophenyl)-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-acetamido-4-chlorophenyl)-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide (CID 71870359) is N-(3-acetamido-4-chlorophenyl)-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-chlorophenyl)-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-acetamido-4-chlorophenyl)-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide is CC(=O)Nc1cc(NC(=O)N2CCC(N3CC=CC3)C2)ccc1Cl.
What is the InChIKey of N-(3-acetamido-4-chlorophenyl)-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide?
The InChIKey is DOQMDKCIKFIEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-12(23)19-16-10-13(4-5-15(16)18)20-17(24)22-9-6-14(11-22)21-7-2-3-8-21/h2-5,10,14H,6-9,11H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-(3-acetamido-4-chlorophenyl)-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide?
N-(3-acetamido-4-chlorophenyl)-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-chlorophenyl)-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71870359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).