2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide

C14H19IN2O — CID 83071800

IUPAC2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2ccc(I)cc2C)CCCN1
InChIInChI=1S/C14H19IN2O/c1-3-14(7-4-8-16-14)13(18)17-12-6-5-11(15)9-10(12)2/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyAQQMFRNFBMTAES-UHFFFAOYSA-N
MW358.22 g/mol
LogP3.07
Rot. Bonds3

About 2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide

2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 83071800) has the molecular formula C14H19IN2O and a molecular weight of 358.22 g/mol. Its IUPAC name is 2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID83071800
Molecular FormulaC14H19IN2O
Molecular Weight358.22 g/mol
Exact Mass358.05
IUPAC Name2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2ccc(I)cc2C)CCCN1
InChIInChI=1S/C14H19IN2O/c1-3-14(7-4-8-16-14)13(18)17-12-6-5-11(15)9-10(12)2/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyAQQMFRNFBMTAES-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 83063422
2-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 83080609
2-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 83065203
N-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107805121
2-ethyl-N-(2-ethyl-6-methylphenyl)pyrrolidine-2-carboxamide
CID 83080160
N-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080071
N-(2-bromo-4-cyanophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071648
N-(2-chloro-6-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071716
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-4-hydroxybenzoic acid
CID 107265136
N-(4-chloro-2-methoxy-5-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080333
2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide
CID 83072170
N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071591

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide (CID 83071800) is 2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide is CCC1(C(=O)Nc2ccc(I)cc2C)CCCN1.
What is the InChIKey of 2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is AQQMFRNFBMTAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O/c1-3-14(7-4-8-16-14)13(18)17-12-6-5-11(15)9-10(12)2/h5-6,9,16H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide?
2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 358.22 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 83071800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).