1-(5-chloro-2-iodobenzoyl)-N-methylpyrrolidine-2-carboxamide

C13H14ClIN2O2 — CID 113231971

IUPAC1-(5-chloro-2-iodobenzoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C13H14ClIN2O2/c1-16-12(18)11-3-2-6-17(11)13(19)9-7-8(14)4-5-10(9)15/h4-5,7,11H,2-3,6H2,1H3,(H,16,18)
InChIKeyQTJGAAUHCBPNQY-UHFFFAOYSA-N
MW392.62 g/mol
LogP2.30
Rot. Bonds2

About 1-(5-chloro-2-iodobenzoyl)-N-methylpyrrolidine-2-carboxamide

1-(5-chloro-2-iodobenzoyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 113231971) has the molecular formula C13H14ClIN2O2 and a molecular weight of 392.62 g/mol. Its IUPAC name is 1-(5-chloro-2-iodobenzoyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-iodobenzoyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID113231971
Molecular FormulaC13H14ClIN2O2
Molecular Weight392.62 g/mol
Exact Mass391.98
IUPAC Name1-(5-chloro-2-iodobenzoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C13H14ClIN2O2/c1-16-12(18)11-3-2-6-17(11)13(19)9-7-8(14)4-5-10(9)15/h4-5,7,11H,2-3,6H2,1H3,(H,16,18)
InChIKeyQTJGAAUHCBPNQY-UHFFFAOYSA-N
XLogP2.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.62
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 54978967
1-(4-amino-2-chlorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61114622
1-(2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61051030
(2S)-1-N-(2,5-dichlorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 99818478
1-[2-(3-aminopropoxy)-4-chlorobenzoyl]-N-methylpiperidine-2-carboxamide
CID 118774005
5-chloro-2-[2-(methylcarbamoyl)pyrrolidin-1-yl]benzoic acid
CID 55010109
1-(2-chlorofuran-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 106686290
2-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]acetic acid
CID 119171180
1-(2,6-dichloropyridine-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 61053437
N-methyl-1-(2-methyl-5-sulfanylbenzoyl)pyrrolidine-2-carboxamide
CID 107026050
1-(5-chloro-2-iodobenzoyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103274744
1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide
CID 56829298

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-iodobenzoyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-chloro-2-iodobenzoyl)-N-methylpyrrolidine-2-carboxamide (CID 113231971) is 1-(5-chloro-2-iodobenzoyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-iodobenzoyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-chloro-2-iodobenzoyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)c1cc(Cl)ccc1I.
What is the InChIKey of 1-(5-chloro-2-iodobenzoyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is QTJGAAUHCBPNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClIN2O2/c1-16-12(18)11-3-2-6-17(11)13(19)9-7-8(14)4-5-10(9)15/h4-5,7,11H,2-3,6H2,1H3,(H,16,18).
What are the key properties of 1-(5-chloro-2-iodobenzoyl)-N-methylpyrrolidine-2-carboxamide?
1-(5-chloro-2-iodobenzoyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 392.62 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-iodobenzoyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 113231971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).