2-fluoro-6-iodo-N-pent-3-enylbenzamide

C12H13FINO — CID 71918677

IUPAC2-fluoro-6-iodo-N-pent-3-enylbenzamide
SMILESCC=CCCNC(=O)c1c(F)cccc1I
InChIInChI=1S/C12H13FINO/c1-2-3-4-8-15-12(16)11-9(13)6-5-7-10(11)14/h2-3,5-7H,4,8H2,1H3,(H,15,16)
InChIKeyZUMOVNVZLPUUNU-UHFFFAOYSA-N
MW333.14 g/mol
LogP3.13
Rot. Bonds4

About 2-fluoro-6-iodo-N-pent-3-enylbenzamide

2-fluoro-6-iodo-N-pent-3-enylbenzamide (PubChem CID 71918677) has the molecular formula C12H13FINO and a molecular weight of 333.14 g/mol. Its IUPAC name is 2-fluoro-6-iodo-N-pent-3-enylbenzamide.

Molecular Properties

Compound Name2-fluoro-6-iodo-N-pent-3-enylbenzamide
PubChem CID71918677
Molecular FormulaC12H13FINO
Molecular Weight333.14 g/mol
Exact Mass333.00
IUPAC Name2-fluoro-6-iodo-N-pent-3-enylbenzamide
SMILESCC=CCCNC(=O)c1c(F)cccc1I
InChIInChI=1S/C12H13FINO/c1-2-3-4-8-15-12(16)11-9(13)6-5-7-10(11)14/h2-3,5-7H,4,8H2,1H3,(H,15,16)
InChIKeyZUMOVNVZLPUUNU-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.14
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-pent-3-enyl]naphthalene-1-carboxamide
CID 113236419
1-(2-fluoro-6-iodophenyl)ethanone
CID 20777138
1-(2-fluorophenyl)-3-[(E)-pent-3-enyl]urea
CID 115629205
4-chloro-2,5-difluoro-N-[(E)-pent-3-enyl]benzamide
CID 115868338
N-(2-cyanopropyl)-2-fluoro-6-iodobenzamide
CID 71918653
2-amino-N-[(E)-pent-3-enyl]benzamide
CID 115976398
2-fluoro-N-(1H-imidazol-2-ylmethyl)-6-iodobenzamide
CID 71918640
N-[(2R)-2-(ethylamino)propyl]-2-fluoro-6-iodobenzamide;hydrochloride
CID 120650172
5-fluoro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide
CID 115694724
2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide
CID 107723701
methyl 3-[(2-iodo-6-methylbenzoyl)amino]propanoate
CID 71968778
N-[3-(3-fluorophenyl)propyl]-2-iodo-6-methylbenzamide
CID 71849358

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-iodo-N-pent-3-enylbenzamide?
The IUPAC name of 2-fluoro-6-iodo-N-pent-3-enylbenzamide (CID 71918677) is 2-fluoro-6-iodo-N-pent-3-enylbenzamide.
What is the SMILES notation for 2-fluoro-6-iodo-N-pent-3-enylbenzamide?
The canonical SMILES for 2-fluoro-6-iodo-N-pent-3-enylbenzamide is CC=CCCNC(=O)c1c(F)cccc1I.
What is the InChIKey of 2-fluoro-6-iodo-N-pent-3-enylbenzamide?
The InChIKey is ZUMOVNVZLPUUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FINO/c1-2-3-4-8-15-12(16)11-9(13)6-5-7-10(11)14/h2-3,5-7H,4,8H2,1H3,(H,15,16).
What are the key properties of 2-fluoro-6-iodo-N-pent-3-enylbenzamide?
2-fluoro-6-iodo-N-pent-3-enylbenzamide has a molecular weight of 333.14 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-iodo-N-pent-3-enylbenzamide is sourced from PubChem (CID 71918677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).