N-(3-chloro-4-methoxyphenyl)-4-fluoro-2-iodobenzamide

C14H10ClFINO2 — CID 39709925

IUPACN-(3-chloro-4-methoxyphenyl)-4-fluoro-2-iodobenzamide
SMILESCOc1ccc(NC(=O)c2ccc(F)cc2I)cc1Cl
InChIInChI=1S/C14H10ClFINO2/c1-20-13-5-3-9(7-11(13)15)18-14(19)10-4-2-8(16)6-12(10)17/h2-7H,1H3,(H,18,19)
InChIKeyLJETUQQMZMXDQF-UHFFFAOYSA-N
MW405.59 g/mol
LogP4.34
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-4-fluoro-2-iodobenzamide

N-(3-chloro-4-methoxyphenyl)-4-fluoro-2-iodobenzamide (PubChem CID 39709925) has the molecular formula C14H10ClFINO2 and a molecular weight of 405.59 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-fluoro-2-iodobenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-fluoro-2-iodobenzamide
PubChem CID39709925
Molecular FormulaC14H10ClFINO2
Molecular Weight405.59 g/mol
Exact Mass404.94
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-fluoro-2-iodobenzamide
SMILESCOc1ccc(NC(=O)c2ccc(F)cc2I)cc1Cl
InChIInChI=1S/C14H10ClFINO2/c1-20-13-5-3-9(7-11(13)15)18-14(19)10-4-2-8(16)6-12(10)17/h2-7H,1H3,(H,18,19)
InChIKeyLJETUQQMZMXDQF-UHFFFAOYSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 54.34
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-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-fluoro-2-iodobenzamide
CID 38928487
N-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide
CID 31115517
2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 103763233
N-(3,4-dimethoxyphenyl)-2-iodo-4-methylbenzamide
CID 100523566
2,5-dichloro-N-(3-fluoro-4-methoxyphenyl)-4-methoxybenzamide
CID 167851526
4-fluoro-N-(3-fluoro-4-methoxyphenyl)-2-hydroxybenzamide
CID 103829787
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355423
N-(3-chloro-4-methoxyphenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129078
2-amino-4-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 63109763
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)acetamide
CID 26416543
N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide
CID 2993738
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-difluorobenzamide
CID 7924034

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-fluoro-2-iodobenzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-fluoro-2-iodobenzamide (CID 39709925) is N-(3-chloro-4-methoxyphenyl)-4-fluoro-2-iodobenzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-fluoro-2-iodobenzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-fluoro-2-iodobenzamide is COc1ccc(NC(=O)c2ccc(F)cc2I)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-fluoro-2-iodobenzamide?
The InChIKey is LJETUQQMZMXDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFINO2/c1-20-13-5-3-9(7-11(13)15)18-14(19)10-4-2-8(16)6-12(10)17/h2-7H,1H3,(H,18,19).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-fluoro-2-iodobenzamide?
N-(3-chloro-4-methoxyphenyl)-4-fluoro-2-iodobenzamide has a molecular weight of 405.59 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-fluoro-2-iodobenzamide is sourced from PubChem (CID 39709925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).