5-ethyl-N-(3-iodopropyl)furan-2-carboxamide

C10H14INO2 — CID 114504288

IUPAC5-ethyl-N-(3-iodopropyl)furan-2-carboxamide
SMILESCCc1ccc(C(=O)NCCCI)o1
InChIInChI=1S/C10H14INO2/c1-2-8-4-5-9(14-8)10(13)12-7-3-6-11/h4-5H,2-3,6-7H2,1H3,(H,12,13)
InChIKeyAUCPTBHQIUEBDQ-UHFFFAOYSA-N
MW307.13 g/mol
LogP2.40
Rot. Bonds5

About 5-ethyl-N-(3-iodopropyl)furan-2-carboxamide

5-ethyl-N-(3-iodopropyl)furan-2-carboxamide (PubChem CID 114504288) has the molecular formula C10H14INO2 and a molecular weight of 307.13 g/mol. Its IUPAC name is 5-ethyl-N-(3-iodopropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(3-iodopropyl)furan-2-carboxamide
PubChem CID114504288
Molecular FormulaC10H14INO2
Molecular Weight307.13 g/mol
Exact Mass307.01
IUPAC Name5-ethyl-N-(3-iodopropyl)furan-2-carboxamide
SMILESCCc1ccc(C(=O)NCCCI)o1
InChIInChI=1S/C10H14INO2/c1-2-8-4-5-9(14-8)10(13)12-7-3-6-11/h4-5H,2-3,6-7H2,1H3,(H,12,13)
InChIKeyAUCPTBHQIUEBDQ-UHFFFAOYSA-N
XLogP2.40
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 52.40
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-(5-aminopentyl)-5-ethylfuran-2-carboxamide
CID 79094477
5-ethyl-N-(4-hydroxypentyl)furan-2-carboxamide
CID 107299752
N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide
CID 112726773
N-(2-azidoethyl)-5-ethylfuran-2-carboxamide
CID 79084209
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
5-ethyl-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 47027033
N-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide
CID 115636695
5-(aminomethyl)-N-octylfuran-2-carboxamide
CID 115567865
N-(2-bromoprop-2-enyl)-5-ethylfuran-2-carboxamide
CID 115594455
5-ethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]furan-2-carboxamide
CID 55861118
5-ethyl-N-(3-hydroxy-2-methylpropyl)furan-2-carboxamide
CID 65034203
N-butyl-5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 3358106

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-iodopropyl)furan-2-carboxamide?
The IUPAC name of 5-ethyl-N-(3-iodopropyl)furan-2-carboxamide (CID 114504288) is 5-ethyl-N-(3-iodopropyl)furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(3-iodopropyl)furan-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(3-iodopropyl)furan-2-carboxamide is CCc1ccc(C(=O)NCCCI)o1.
What is the InChIKey of 5-ethyl-N-(3-iodopropyl)furan-2-carboxamide?
The InChIKey is AUCPTBHQIUEBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO2/c1-2-8-4-5-9(14-8)10(13)12-7-3-6-11/h4-5H,2-3,6-7H2,1H3,(H,12,13).
What are the key properties of 5-ethyl-N-(3-iodopropyl)furan-2-carboxamide?
5-ethyl-N-(3-iodopropyl)furan-2-carboxamide has a molecular weight of 307.13 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-iodopropyl)furan-2-carboxamide is sourced from PubChem (CID 114504288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).