4-chloro-2-fluoro-N-(6-iodohexyl)benzamide

C13H16ClFINO — CID 114008622

IUPAC4-chloro-2-fluoro-N-(6-iodohexyl)benzamide
SMILESO=C(NCCCCCCI)c1ccc(Cl)cc1F
InChIInChI=1S/C13H16ClFINO/c14-10-5-6-11(12(15)9-10)13(18)17-8-4-2-1-3-7-16/h5-6,9H,1-4,7-8H2,(H,17,18)
InChIKeyMJPWOFGQHKGTCP-UHFFFAOYSA-N
MW383.63 g/mol
LogP4.20
Rot. Bonds7

About 4-chloro-2-fluoro-N-(6-iodohexyl)benzamide

4-chloro-2-fluoro-N-(6-iodohexyl)benzamide (PubChem CID 114008622) has the molecular formula C13H16ClFINO and a molecular weight of 383.63 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(6-iodohexyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(6-iodohexyl)benzamide
PubChem CID114008622
Molecular FormulaC13H16ClFINO
Molecular Weight383.63 g/mol
Exact Mass382.99
IUPAC Name4-chloro-2-fluoro-N-(6-iodohexyl)benzamide
SMILESO=C(NCCCCCCI)c1ccc(Cl)cc1F
InChIInChI=1S/C13H16ClFINO/c14-10-5-6-11(12(15)9-10)13(18)17-8-4-2-1-3-7-16/h5-6,9H,1-4,7-8H2,(H,17,18)
InChIKeyMJPWOFGQHKGTCP-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.63
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

4-chloro-2-hydroxy-N-(5-iodopentyl)benzamide
CID 107322316
2-fluoro-N-(5-iodopentyl)-4-methylbenzamide
CID 107322226
2,3,4-trifluoro-N-(6-iodohexyl)benzamide
CID 107848024
5-chloro-2-fluoro-N-(3-iodopropyl)benzamide
CID 114504102
N-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride
CID 119405370
2,5-difluoro-N-(4-iodobutyl)benzamide
CID 106846072
4-chloro-2-fluoro-N-(3-sulfamoylpropyl)benzamide
CID 47337136
4-chloro-2-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500505
4-chloro-3-fluoro-N-(6-iodohexyl)benzamide
CID 107994492
5-[(4-chloro-2-fluorobenzoyl)amino]-2-methylpentanoic acid
CID 104682759
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
3-chloro-2-fluoro-N-(4-iodobutyl)benzamide
CID 106846240

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(6-iodohexyl)benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-(6-iodohexyl)benzamide (CID 114008622) is 4-chloro-2-fluoro-N-(6-iodohexyl)benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(6-iodohexyl)benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(6-iodohexyl)benzamide is O=C(NCCCCCCI)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-(6-iodohexyl)benzamide?
The InChIKey is MJPWOFGQHKGTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFINO/c14-10-5-6-11(12(15)9-10)13(18)17-8-4-2-1-3-7-16/h5-6,9H,1-4,7-8H2,(H,17,18).
What are the key properties of 4-chloro-2-fluoro-N-(6-iodohexyl)benzamide?
4-chloro-2-fluoro-N-(6-iodohexyl)benzamide has a molecular weight of 383.63 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(6-iodohexyl)benzamide is sourced from PubChem (CID 114008622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).