3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide

C20H23IN2O2 — CID 43005771

IUPAC3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1cccc(C(CNC(=O)c2cccc(I)c2)N2CCCC2)c1
InChIInChI=1S/C20H23IN2O2/c1-25-18-9-5-6-15(13-18)19(23-10-2-3-11-23)14-22-20(24)16-7-4-8-17(21)12-16/h4-9,12-13,19H,2-3,10-11,14H2,1H3,(H,22,24)
InChIKeyNFMJDORMKKVXLO-UHFFFAOYSA-N
MW450.32 g/mol
LogP3.87
Rot. Bonds6

About 3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide

3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 43005771) has the molecular formula C20H23IN2O2 and a molecular weight of 450.32 g/mol. Its IUPAC name is 3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID43005771
Molecular FormulaC20H23IN2O2
Molecular Weight450.32 g/mol
Exact Mass450.08
IUPAC Name3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1cccc(C(CNC(=O)c2cccc(I)c2)N2CCCC2)c1
InChIInChI=1S/C20H23IN2O2/c1-25-18-9-5-6-15(13-18)19(23-10-2-3-11-23)14-22-20(24)16-7-4-8-17(21)12-16/h4-9,12-13,19H,2-3,10-11,14H2,1H3,(H,22,24)
InChIKeyNFMJDORMKKVXLO-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005762
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005778
2,6-dimethoxy-N-[2-(3-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 112506691
4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005704
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethylbenzamide
CID 43007764
3-[(2-cyanophenyl)methoxy]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 60572726
2-(difluoromethyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3H-benzimidazole-5-carboxamide
CID 56561284
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide
CID 78803328
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]azocane-1-carboxamide
CID 112806953
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,2-dimethylpropanamide
CID 134026624

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (CID 43005771) is 3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is COc1cccc(C(CNC(=O)c2cccc(I)c2)N2CCCC2)c1.
What is the InChIKey of 3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is NFMJDORMKKVXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23IN2O2/c1-25-18-9-5-6-15(13-18)19(23-10-2-3-11-23)14-22-20(24)16-7-4-8-17(21)12-16/h4-9,12-13,19H,2-3,10-11,14H2,1H3,(H,22,24).
What are the key properties of 3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 450.32 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 43005771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).