5-chloro-2-fluoro-N-(3-iodopropyl)benzamide

C10H10ClFINO — CID 114504102

IUPAC5-chloro-2-fluoro-N-(3-iodopropyl)benzamide
SMILESO=C(NCCCI)c1cc(Cl)ccc1F
InChIInChI=1S/C10H10ClFINO/c11-7-2-3-9(12)8(6-7)10(15)14-5-1-4-13/h2-3,6H,1,4-5H2,(H,14,15)
InChIKeyMRXDFDVJCDASOU-UHFFFAOYSA-N
MW341.55 g/mol
LogP3.03
Rot. Bonds4

About 5-chloro-2-fluoro-N-(3-iodopropyl)benzamide

5-chloro-2-fluoro-N-(3-iodopropyl)benzamide (PubChem CID 114504102) has the molecular formula C10H10ClFINO and a molecular weight of 341.55 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(3-iodopropyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(3-iodopropyl)benzamide
PubChem CID114504102
Molecular FormulaC10H10ClFINO
Molecular Weight341.55 g/mol
Exact Mass340.95
IUPAC Name5-chloro-2-fluoro-N-(3-iodopropyl)benzamide
SMILESO=C(NCCCI)c1cc(Cl)ccc1F
InChIInChI=1S/C10H10ClFINO/c11-7-2-3-9(12)8(6-7)10(15)14-5-1-4-13/h2-3,6H,1,4-5H2,(H,14,15)
InChIKeyMRXDFDVJCDASOU-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.55
LogP ≤ 53.03
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

2,5-difluoro-N-(3-iodopropyl)benzamide
CID 114504363
4-chloro-2-fluoro-N-(6-iodohexyl)benzamide
CID 114008622
2,5-difluoro-N-(4-iodobutyl)benzamide
CID 106846072
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
2,3-difluoro-N-(3-iodopropyl)benzamide
CID 114504531
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
4-chloro-2-hydroxy-N-(5-iodopentyl)benzamide
CID 107322316
5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 60676397
2,3,4-trifluoro-N-(6-iodohexyl)benzamide
CID 107848024
2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide
CID 114503969
N-(3-chloropropyl)-2,5-difluorobenzamide
CID 43133472
5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide
CID 114297427

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(3-iodopropyl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-(3-iodopropyl)benzamide (CID 114504102) is 5-chloro-2-fluoro-N-(3-iodopropyl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(3-iodopropyl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(3-iodopropyl)benzamide is O=C(NCCCI)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(3-iodopropyl)benzamide?
The InChIKey is MRXDFDVJCDASOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFINO/c11-7-2-3-9(12)8(6-7)10(15)14-5-1-4-13/h2-3,6H,1,4-5H2,(H,14,15).
What are the key properties of 5-chloro-2-fluoro-N-(3-iodopropyl)benzamide?
5-chloro-2-fluoro-N-(3-iodopropyl)benzamide has a molecular weight of 341.55 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(3-iodopropyl)benzamide is sourced from PubChem (CID 114504102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).