N-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide

C15H13FINO2 — CID 104627427

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C15H13FINO2/c1-18(9-10-2-5-12(16)6-3-10)15(20)11-4-7-13(17)14(19)8-11/h2-8,19H,9H2,1H3
InChIKeyUFQRUASNIRIQKB-UHFFFAOYSA-N
MW385.18 g/mol
LogP3.41
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide

N-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide (PubChem CID 104627427) has the molecular formula C15H13FINO2 and a molecular weight of 385.18 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide
PubChem CID104627427
Molecular FormulaC15H13FINO2
Molecular Weight385.18 g/mol
Exact Mass385.00
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C15H13FINO2/c1-18(9-10-2-5-12(16)6-3-10)15(20)11-4-7-13(17)14(19)8-11/h2-8,19H,9H2,1H3
InChIKeyUFQRUASNIRIQKB-UHFFFAOYSA-N
XLogP3.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.18
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide
CID 60628786
3-hydroxy-4-iodo-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 104627629
4-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 63213175
3-hydroxy-4-iodo-N-methyl-N-prop-2-enylbenzamide
CID 104956229
3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 43574101
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 63188707
N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide
CID 78771211
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
5-bromo-N-[(4-fluorophenyl)methyl]-2-iodo-N-methylbenzamide
CID 103600097
N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998007
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 78770402

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide (CID 104627427) is N-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide is CN(Cc1ccc(F)cc1)C(=O)c1ccc(I)c(O)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide?
The InChIKey is UFQRUASNIRIQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FINO2/c1-18(9-10-2-5-12(16)6-3-10)15(20)11-4-7-13(17)14(19)8-11/h2-8,19H,9H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide has a molecular weight of 385.18 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide is sourced from PubChem (CID 104627427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).