N-(3-iodopropyl)-1-benzofuran-2-carboxamide

C12H12INO2 — CID 114504013

IUPACN-(3-iodopropyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCCCI)c1cc2ccccc2o1
InChIInChI=1S/C12H12INO2/c13-6-3-7-14-12(15)11-8-9-4-1-2-5-10(9)16-11/h1-2,4-5,8H,3,6-7H2,(H,14,15)
InChIKeyUCSYMUWZZCCMDH-UHFFFAOYSA-N
MW329.14 g/mol
LogP2.99
Rot. Bonds4

About N-(3-iodopropyl)-1-benzofuran-2-carboxamide

N-(3-iodopropyl)-1-benzofuran-2-carboxamide (PubChem CID 114504013) has the molecular formula C12H12INO2 and a molecular weight of 329.14 g/mol. Its IUPAC name is N-(3-iodopropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-iodopropyl)-1-benzofuran-2-carboxamide
PubChem CID114504013
Molecular FormulaC12H12INO2
Molecular Weight329.14 g/mol
Exact Mass328.99
IUPAC NameN-(3-iodopropyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCCCI)c1cc2ccccc2o1
InChIInChI=1S/C12H12INO2/c13-6-3-7-14-12(15)11-8-9-4-1-2-5-10(9)16-11/h1-2,4-5,8H,3,6-7H2,(H,14,15)
InChIKeyUCSYMUWZZCCMDH-UHFFFAOYSA-N
XLogP2.99
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2-aminobenzoyl)amino]propyl]-1-benzofuran-2-carboxamide
CID 41448519
N-[3-(2-bromoethoxy)propyl]-1-benzofuran-2-carboxamide
CID 114171461
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529204
N-[2-(3,4-dihydroxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 78796682
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-[2-(furan-3-yl)ethyl]-1-benzofuran-2-carboxamide
CID 90558282
N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 60646228
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480807
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
N-[(3S)-5-hydroxy-3-phenylpentyl]-1-benzofuran-2-carboxamide
CID 99872827
N-(heptylcarbamoyl)-1-benzofuran-2-carboxamide
CID 59786869

Frequently Asked Questions

What is the IUPAC name of N-(3-iodopropyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-iodopropyl)-1-benzofuran-2-carboxamide (CID 114504013) is N-(3-iodopropyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-iodopropyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-iodopropyl)-1-benzofuran-2-carboxamide is O=C(NCCCI)c1cc2ccccc2o1.
What is the InChIKey of N-(3-iodopropyl)-1-benzofuran-2-carboxamide?
The InChIKey is UCSYMUWZZCCMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INO2/c13-6-3-7-14-12(15)11-8-9-4-1-2-5-10(9)16-11/h1-2,4-5,8H,3,6-7H2,(H,14,15).
What are the key properties of N-(3-iodopropyl)-1-benzofuran-2-carboxamide?
N-(3-iodopropyl)-1-benzofuran-2-carboxamide has a molecular weight of 329.14 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodopropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 114504013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).