N-(3,5-difluoro-4-iodophenyl)-2-(methoxymethyl)benzamide

C15H12F2INO2 — CID 52824087

IUPACN-(3,5-difluoro-4-iodophenyl)-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)Nc1cc(F)c(I)c(F)c1
InChIInChI=1S/C15H12F2INO2/c1-21-8-9-4-2-3-5-11(9)15(20)19-10-6-12(16)14(18)13(17)7-10/h2-7H,8H2,1H3,(H,19,20)
InChIKeyKCTWYUFXCGXPFG-UHFFFAOYSA-N
MW403.17 g/mol
LogP3.97
Rot. Bonds4

About N-(3,5-difluoro-4-iodophenyl)-2-(methoxymethyl)benzamide

N-(3,5-difluoro-4-iodophenyl)-2-(methoxymethyl)benzamide (PubChem CID 52824087) has the molecular formula C15H12F2INO2 and a molecular weight of 403.17 g/mol. Its IUPAC name is N-(3,5-difluoro-4-iodophenyl)-2-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-iodophenyl)-2-(methoxymethyl)benzamide
PubChem CID52824087
Molecular FormulaC15H12F2INO2
Molecular Weight403.17 g/mol
Exact Mass402.99
IUPAC NameN-(3,5-difluoro-4-iodophenyl)-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)Nc1cc(F)c(I)c(F)c1
InChIInChI=1S/C15H12F2INO2/c1-21-8-9-4-2-3-5-11(9)15(20)19-10-6-12(16)14(18)13(17)7-10/h2-7H,8H2,1H3,(H,19,20)
InChIKeyKCTWYUFXCGXPFG-UHFFFAOYSA-N
XLogP3.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.17
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(methoxymethyl)-N-methylbenzamide
CID 60753373
2-fluoro-N-[2-(methoxymethyl)phenyl]-5-methylbenzamide
CID 62511821
3-(methoxymethyl)-2-methyl-N-phenylbenzamide
CID 151203902
N,2-bis(methoxymethyl)benzamide
CID 91153220
2-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 52577778
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-(methoxymethyl)benzamide
CID 39089763
2-(methoxymethyl)-N-[[3-[[[2-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 121289726
2-iodo-N-[3-(methoxymethyl)phenyl]benzamide
CID 1313720
2-[4-[[2-(methoxymethyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696342
2-(ethylamino)-N-[2-(methoxymethyl)phenyl]benzamide
CID 62178678
4-[[2-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82876405
2-[[2-(2-fluorophenyl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 2516706

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-iodophenyl)-2-(methoxymethyl)benzamide?
The IUPAC name of N-(3,5-difluoro-4-iodophenyl)-2-(methoxymethyl)benzamide (CID 52824087) is N-(3,5-difluoro-4-iodophenyl)-2-(methoxymethyl)benzamide.
What is the SMILES notation for N-(3,5-difluoro-4-iodophenyl)-2-(methoxymethyl)benzamide?
The canonical SMILES for N-(3,5-difluoro-4-iodophenyl)-2-(methoxymethyl)benzamide is COCc1ccccc1C(=O)Nc1cc(F)c(I)c(F)c1.
What is the InChIKey of N-(3,5-difluoro-4-iodophenyl)-2-(methoxymethyl)benzamide?
The InChIKey is KCTWYUFXCGXPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2INO2/c1-21-8-9-4-2-3-5-11(9)15(20)19-10-6-12(16)14(18)13(17)7-10/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of N-(3,5-difluoro-4-iodophenyl)-2-(methoxymethyl)benzamide?
N-(3,5-difluoro-4-iodophenyl)-2-(methoxymethyl)benzamide has a molecular weight of 403.17 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-iodophenyl)-2-(methoxymethyl)benzamide is sourced from PubChem (CID 52824087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).