4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide

C15H13FINO — CID 63213134

IUPAC4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(I)cc2C)ccc1F
InChIInChI=1S/C15H13FINO/c1-9-7-11(3-5-13(9)16)15(19)18-14-6-4-12(17)8-10(14)2/h3-8H,1-2H3,(H,18,19)
InChIKeyKTAXOCCAIFXCAP-UHFFFAOYSA-N
MW369.18 g/mol
LogP4.30
Rot. Bonds2

About 4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide

4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide (PubChem CID 63213134) has the molecular formula C15H13FINO and a molecular weight of 369.18 g/mol. Its IUPAC name is 4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide
PubChem CID63213134
Molecular FormulaC15H13FINO
Molecular Weight369.18 g/mol
Exact Mass369.00
IUPAC Name4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(I)cc2C)ccc1F
InChIInChI=1S/C15H13FINO/c1-9-7-11(3-5-13(9)16)15(19)18-14-6-4-12(17)8-10(14)2/h3-8H,1-2H3,(H,18,19)
InChIKeyKTAXOCCAIFXCAP-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.18
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-fluoro-N-(4-iodo-2-methylphenyl)benzamide
CID 63188157
4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide
CID 55163065
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
4-bromo-N-(4-iodo-2-methylphenyl)benzamide
CID 1379401
2-fluoro-N-(4-iodo-2-methylphenyl)-5-methylbenzamide
CID 55083380
N-(4-bromo-2,3-dichlorophenyl)-4-fluoro-3-methylbenzamide
CID 107788752
4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209943
N-(2-amino-4,5-dimethylphenyl)-4-fluoro-3-methylbenzamide
CID 63209761
4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 103822569
N-(4-iodo-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 46803663
4-(bromomethyl)-N-(4-iodo-2-methylphenyl)benzamide
CID 102851138
[4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]phenyl]carbamic acid
CID 137353520

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide?
The IUPAC name of 4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide (CID 63213134) is 4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide?
The canonical SMILES for 4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide is Cc1cc(C(=O)Nc2ccc(I)cc2C)ccc1F.
What is the InChIKey of 4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide?
The InChIKey is KTAXOCCAIFXCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FINO/c1-9-7-11(3-5-13(9)16)15(19)18-14-6-4-12(17)8-10(14)2/h3-8H,1-2H3,(H,18,19).
What are the key properties of 4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide?
4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide has a molecular weight of 369.18 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide is sourced from PubChem (CID 63213134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).