N-[3-(3-fluorophenyl)propyl]-2-iodo-6-methylbenzamide

C17H17FINO — CID 71849358

IUPACN-[3-(3-fluorophenyl)propyl]-2-iodo-6-methylbenzamide
SMILESCc1cccc(I)c1C(=O)NCCCc1cccc(F)c1
InChIInChI=1S/C17H17FINO/c1-12-5-2-9-15(19)16(12)17(21)20-10-4-7-13-6-3-8-14(18)11-13/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,20,21)
InChIKeyCJUADCXUANQXRZ-UHFFFAOYSA-N
MW397.23 g/mol
LogP4.10
Rot. Bonds5

About N-[3-(3-fluorophenyl)propyl]-2-iodo-6-methylbenzamide

N-[3-(3-fluorophenyl)propyl]-2-iodo-6-methylbenzamide (PubChem CID 71849358) has the molecular formula C17H17FINO and a molecular weight of 397.23 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)propyl]-2-iodo-6-methylbenzamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)propyl]-2-iodo-6-methylbenzamide
PubChem CID71849358
Molecular FormulaC17H17FINO
Molecular Weight397.23 g/mol
Exact Mass397.03
IUPAC NameN-[3-(3-fluorophenyl)propyl]-2-iodo-6-methylbenzamide
SMILESCc1cccc(I)c1C(=O)NCCCc1cccc(F)c1
InChIInChI=1S/C17H17FINO/c1-12-5-2-9-15(19)16(12)17(21)20-10-4-7-13-6-3-8-14(18)11-13/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,20,21)
InChIKeyCJUADCXUANQXRZ-UHFFFAOYSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.23
LogP ≤ 54.10
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'}

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Related Compounds

N-[3-(3-fluorophenyl)propyl]-2-methyl-6-nitrobenzamide
CID 99842112
N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 26463015
2-iodo-4-methyl-N-[3-(3-methylphenyl)propyl]benzamide
CID 100526826
methyl 3-[(2-iodo-6-methylbenzoyl)amino]propanoate
CID 71968778
N-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 9182422
2-(4-fluorophenyl)-N-[3-(3-methylphenyl)propyl]acetamide
CID 84505459
N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 18118749
N-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 91954603
N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 9182358
1-[3-(3-fluorophenyl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111455422
N-[2-(3-fluorophenyl)ethyl]-2-(methylamino)acetamide
CID 43566280
N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]-3-methylfuran-2-carboxamide
CID 56793899

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)propyl]-2-iodo-6-methylbenzamide?
The IUPAC name of N-[3-(3-fluorophenyl)propyl]-2-iodo-6-methylbenzamide (CID 71849358) is N-[3-(3-fluorophenyl)propyl]-2-iodo-6-methylbenzamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)propyl]-2-iodo-6-methylbenzamide?
The canonical SMILES for N-[3-(3-fluorophenyl)propyl]-2-iodo-6-methylbenzamide is Cc1cccc(I)c1C(=O)NCCCc1cccc(F)c1.
What is the InChIKey of N-[3-(3-fluorophenyl)propyl]-2-iodo-6-methylbenzamide?
The InChIKey is CJUADCXUANQXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FINO/c1-12-5-2-9-15(19)16(12)17(21)20-10-4-7-13-6-3-8-14(18)11-13/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,20,21).
What are the key properties of N-[3-(3-fluorophenyl)propyl]-2-iodo-6-methylbenzamide?
N-[3-(3-fluorophenyl)propyl]-2-iodo-6-methylbenzamide has a molecular weight of 397.23 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)propyl]-2-iodo-6-methylbenzamide is sourced from PubChem (CID 71849358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).