1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide

C16H15IN2O3 — CID 71902260

IUPAC1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(I)c1)C1CCCN1C(=O)c1ccco1
InChIInChI=1S/C16H15IN2O3/c17-11-4-1-5-12(10-11)18-15(20)13-6-2-8-19(13)16(21)14-7-3-9-22-14/h1,3-5,7,9-10,13H,2,6,8H2,(H,18,20)
InChIKeyWAKQBBXTTHKVKC-UHFFFAOYSA-N
MW410.21 g/mol
LogP3.13
Rot. Bonds3

About 1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide

1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide (PubChem CID 71902260) has the molecular formula C16H15IN2O3 and a molecular weight of 410.21 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide
PubChem CID71902260
Molecular FormulaC16H15IN2O3
Molecular Weight410.21 g/mol
Exact Mass410.01
IUPAC Name1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(I)c1)C1CCCN1C(=O)c1ccco1
InChIInChI=1S/C16H15IN2O3/c17-11-4-1-5-12(10-11)18-15(20)13-6-2-8-19(13)16(21)14-7-3-9-22-14/h1,3-5,7,9-10,13H,2,6,8H2,(H,18,20)
InChIKeyWAKQBBXTTHKVKC-UHFFFAOYSA-N
XLogP3.13
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.21
LogP ≤ 53.13
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

(2R)-N-(3-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51980891
(2R)-N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 32821866
N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24659016
(2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide
CID 96526953
methyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate
CID 99589299
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24658893
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
2-[3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenoxy]acetic acid
CID 119224814
(2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55940765
1-(furan-2-carbonyl)-N-(2-oxochromen-6-yl)pyrrolidine-2-carboxamide
CID 55979205
ethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate
CID 60551969
(2S)-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55939473

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide (CID 71902260) is 1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide is O=C(Nc1cccc(I)c1)C1CCCN1C(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide?
The InChIKey is WAKQBBXTTHKVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O3/c17-11-4-1-5-12(10-11)18-15(20)13-6-2-8-19(13)16(21)14-7-3-9-22-14/h1,3-5,7,9-10,13H,2,6,8H2,(H,18,20).
What are the key properties of 1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide?
1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide has a molecular weight of 410.21 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 71902260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).