N-cyclopropyl-1-(3-iodobenzoyl)pyrrolidine-2-carboxamide

C15H17IN2O2 — CID 47158356

IUPACN-cyclopropyl-1-(3-iodobenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1C(=O)c1cccc(I)c1
InChIInChI=1S/C15H17IN2O2/c16-11-4-1-3-10(9-11)15(20)18-8-2-5-13(18)14(19)17-12-6-7-12/h1,3-4,9,12-13H,2,5-8H2,(H,17,19)
InChIKeyGAZPJYRWWNAIOQ-UHFFFAOYSA-N
MW384.22 g/mol
LogP2.17
Rot. Bonds3

About N-cyclopropyl-1-(3-iodobenzoyl)pyrrolidine-2-carboxamide

N-cyclopropyl-1-(3-iodobenzoyl)pyrrolidine-2-carboxamide (PubChem CID 47158356) has the molecular formula C15H17IN2O2 and a molecular weight of 384.22 g/mol. Its IUPAC name is N-cyclopropyl-1-(3-iodobenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(3-iodobenzoyl)pyrrolidine-2-carboxamide
PubChem CID47158356
Molecular FormulaC15H17IN2O2
Molecular Weight384.22 g/mol
Exact Mass384.03
IUPAC NameN-cyclopropyl-1-(3-iodobenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1C(=O)c1cccc(I)c1
InChIInChI=1S/C15H17IN2O2/c16-11-4-1-3-10(9-11)15(20)18-8-2-5-13(18)14(19)17-12-6-7-12/h1,3-4,9,12-13H,2,5-8H2,(H,17,19)
InChIKeyGAZPJYRWWNAIOQ-UHFFFAOYSA-N
XLogP2.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 52.17
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

N-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 134800399
(2S)-N-cyclohexyl-1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxamide
CID 110305765
N-cyclopropyl-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 86982588
N-cyclopentyl-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134799641
1-(4-amino-3-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 107074446
(2S)-N-cyclohexyl-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 10315888
N-cyclopropyl-1-(2-fluoropyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 61293291
N-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide
CID 78857677
(2R)-1-(3-chlorobenzoyl)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide
CID 24717437
(2S)-N-cyclopentyl-1-[3-[(3-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92895034
N-cyclopentyl-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 53015958
N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide
CID 47158357

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(3-iodobenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-(3-iodobenzoyl)pyrrolidine-2-carboxamide (CID 47158356) is N-cyclopropyl-1-(3-iodobenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(3-iodobenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(3-iodobenzoyl)pyrrolidine-2-carboxamide is O=C(NC1CC1)C1CCCN1C(=O)c1cccc(I)c1.
What is the InChIKey of N-cyclopropyl-1-(3-iodobenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is GAZPJYRWWNAIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O2/c16-11-4-1-3-10(9-11)15(20)18-8-2-5-13(18)14(19)17-12-6-7-12/h1,3-4,9,12-13H,2,5-8H2,(H,17,19).
What are the key properties of N-cyclopropyl-1-(3-iodobenzoyl)pyrrolidine-2-carboxamide?
N-cyclopropyl-1-(3-iodobenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 384.22 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(3-iodobenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 47158356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).