N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide

C15H13FINO — CID 60628786

IUPACN-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1ccc(I)cc1
InChIInChI=1S/C15H13FINO/c1-18(10-11-2-6-13(16)7-3-11)15(19)12-4-8-14(17)9-5-12/h2-9H,10H2,1H3
InChIKeyDKMDXDLJBAIYKQ-UHFFFAOYSA-N
MW369.18 g/mol
LogP3.70
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide

N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide (PubChem CID 60628786) has the molecular formula C15H13FINO and a molecular weight of 369.18 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide
PubChem CID60628786
Molecular FormulaC15H13FINO
Molecular Weight369.18 g/mol
Exact Mass369.00
IUPAC NameN-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1ccc(I)cc1
InChIInChI=1S/C15H13FINO/c1-18(10-11-2-6-13(16)7-3-11)15(19)12-4-8-14(17)9-5-12/h2-9H,10H2,1H3
InChIKeyDKMDXDLJBAIYKQ-UHFFFAOYSA-N
XLogP3.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.18
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide
CID 104627427
4-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 63213175
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 78770402
N-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 4803573
N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide
CID 78771211
3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 63188707
3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 43574101
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 55349044
N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998007
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-N-methylbenzamide
CID 46653258

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide (CID 60628786) is N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide is CN(Cc1ccc(F)cc1)C(=O)c1ccc(I)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide?
The InChIKey is DKMDXDLJBAIYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FINO/c1-18(10-11-2-6-13(16)7-3-11)15(19)12-4-8-14(17)9-5-12/h2-9H,10H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide?
N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide has a molecular weight of 369.18 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide is sourced from PubChem (CID 60628786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).