5-iodo-2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]benzamide

C15H19IN2O2 — CID 59282776

IUPAC5-iodo-2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]benzamide
SMILESCc1ccc(I)cc1C(=O)NCC(=O)N1CCCC1C
InChIInChI=1S/C15H19IN2O2/c1-10-5-6-12(16)8-13(10)15(20)17-9-14(19)18-7-3-4-11(18)2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,17,20)
InChIKeyQNOAMHKNJLDSPZ-UHFFFAOYSA-N
MW386.23 g/mol
LogP2.34
Rot. Bonds3

About 5-iodo-2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]benzamide

5-iodo-2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]benzamide (PubChem CID 59282776) has the molecular formula C15H19IN2O2 and a molecular weight of 386.23 g/mol. Its IUPAC name is 5-iodo-2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name5-iodo-2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]benzamide
PubChem CID59282776
Molecular FormulaC15H19IN2O2
Molecular Weight386.23 g/mol
Exact Mass386.05
IUPAC Name5-iodo-2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]benzamide
SMILESCc1ccc(I)cc1C(=O)NCC(=O)N1CCCC1C
InChIInChI=1S/C15H19IN2O2/c1-10-5-6-12(16)8-13(10)15(20)17-9-14(19)18-7-3-4-11(18)2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,17,20)
InChIKeyQNOAMHKNJLDSPZ-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.23
LogP ≤ 52.34
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

3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 59282800
[1-[2-[(2-chloro-5-iodobenzoyl)amino]acetyl]pyrrolidin-2-yl]boronic acid
CID 45256851
[1-[2-[(2-chloro-5-iodobenzoyl)amino]acetyl]pyrrolidin-2-yl]borinic acid
CID 143965801
7-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide
CID 165399906
4-amino-3-chloro-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 168988063
2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]propanamide
CID 145388256
N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 141274805
5-bromo-N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 47102374
N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-2-methylbenzamide
CID 51338008
N-(2-methoxyethyl)-2-methyl-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide
CID 90291509
9,9-dimethyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]fluorene-3-carboxamide
CID 169197880
9,9-difluoro-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]fluorene-3-carboxamide
CID 170299334

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of 5-iodo-2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]benzamide (CID 59282776) is 5-iodo-2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 5-iodo-2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 5-iodo-2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]benzamide is Cc1ccc(I)cc1C(=O)NCC(=O)N1CCCC1C.
What is the InChIKey of 5-iodo-2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is QNOAMHKNJLDSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2O2/c1-10-5-6-12(16)8-13(10)15(20)17-9-14(19)18-7-3-4-11(18)2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,17,20).
What are the key properties of 5-iodo-2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]benzamide?
5-iodo-2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 386.23 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 59282776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).