3-chloro-2-fluoro-N-(4-iodobutyl)benzamide

C11H12ClFINO — CID 106846240

IUPAC3-chloro-2-fluoro-N-(4-iodobutyl)benzamide
SMILESO=C(NCCCCI)c1cccc(Cl)c1F
InChIInChI=1S/C11H12ClFINO/c12-9-5-3-4-8(10(9)13)11(16)15-7-2-1-6-14/h3-5H,1-2,6-7H2,(H,15,16)
InChIKeyMFFKSMKAWRMAJN-UHFFFAOYSA-N
MW355.58 g/mol
LogP3.42
Rot. Bonds5

About 3-chloro-2-fluoro-N-(4-iodobutyl)benzamide

3-chloro-2-fluoro-N-(4-iodobutyl)benzamide (PubChem CID 106846240) has the molecular formula C11H12ClFINO and a molecular weight of 355.58 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-(4-iodobutyl)benzamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-(4-iodobutyl)benzamide
PubChem CID106846240
Molecular FormulaC11H12ClFINO
Molecular Weight355.58 g/mol
Exact Mass354.96
IUPAC Name3-chloro-2-fluoro-N-(4-iodobutyl)benzamide
SMILESO=C(NCCCCI)c1cccc(Cl)c1F
InChIInChI=1S/C11H12ClFINO/c12-9-5-3-4-8(10(9)13)11(16)15-7-2-1-6-14/h3-5H,1-2,6-7H2,(H,15,16)
InChIKeyMFFKSMKAWRMAJN-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.58
LogP ≤ 53.42
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

3-chloro-2-fluoro-N-nonylbenzamide
CID 91722725
3-chloro-N-(4-iodobutyl)-2-methylbenzamide
CID 107100317
3-chloro-2-fluoro-N-tetradecylbenzamide
CID 91722769
N-(5-amino-5-sulfanylidenepentyl)-3-chloro-2-fluorobenzamide
CID 81267427
2,3-difluoro-N-(3-iodopropyl)benzamide
CID 114504531
2,3-dichloro-N-(3-iodopropyl)benzamide
CID 114504005
3-bromo-2-fluoro-N-(6-iodohexyl)benzamide
CID 114020519
1-N,2-N-bis(4-iodobutyl)benzene-1,2-dicarboxamide
CID 139952452
3-chloro-N-(3-iodopropyl)-2-methylbenzamide
CID 107100281
2-(2-chloro-6-fluorophenyl)-N-(5-iodopentyl)acetamide
CID 107322545
ethyl 4-[(3-chloro-2-fluorobenzoyl)amino]butanoate
CID 80979995
2,3,4-trifluoro-N-(6-iodohexyl)benzamide
CID 107848024

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-(4-iodobutyl)benzamide?
The IUPAC name of 3-chloro-2-fluoro-N-(4-iodobutyl)benzamide (CID 106846240) is 3-chloro-2-fluoro-N-(4-iodobutyl)benzamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-(4-iodobutyl)benzamide?
The canonical SMILES for 3-chloro-2-fluoro-N-(4-iodobutyl)benzamide is O=C(NCCCCI)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-(4-iodobutyl)benzamide?
The InChIKey is MFFKSMKAWRMAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFINO/c12-9-5-3-4-8(10(9)13)11(16)15-7-2-1-6-14/h3-5H,1-2,6-7H2,(H,15,16).
What are the key properties of 3-chloro-2-fluoro-N-(4-iodobutyl)benzamide?
3-chloro-2-fluoro-N-(4-iodobutyl)benzamide has a molecular weight of 355.58 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-(4-iodobutyl)benzamide is sourced from PubChem (CID 106846240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).