N-[4-[(4-fluoro-2-iodoanilino)methyl]phenyl]acetamide

C15H14FIN2O — CID 79768829

IUPACN-[4-[(4-fluoro-2-iodoanilino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2ccc(F)cc2I)cc1
InChIInChI=1S/C15H14FIN2O/c1-10(20)19-13-5-2-11(3-6-13)9-18-15-7-4-12(16)8-14(15)17/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyWEQVMJKFUFZWGG-UHFFFAOYSA-N
MW384.19 g/mol
LogP4.00
Rot. Bonds4

About N-[4-[(4-fluoro-2-iodoanilino)methyl]phenyl]acetamide

N-[4-[(4-fluoro-2-iodoanilino)methyl]phenyl]acetamide (PubChem CID 79768829) has the molecular formula C15H14FIN2O and a molecular weight of 384.19 g/mol. Its IUPAC name is N-[4-[(4-fluoro-2-iodoanilino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-fluoro-2-iodoanilino)methyl]phenyl]acetamide
PubChem CID79768829
Molecular FormulaC15H14FIN2O
Molecular Weight384.19 g/mol
Exact Mass384.01
IUPAC NameN-[4-[(4-fluoro-2-iodoanilino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2ccc(F)cc2I)cc1
InChIInChI=1S/C15H14FIN2O/c1-10(20)19-13-5-2-11(3-6-13)9-18-15-7-4-12(16)8-14(15)17/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyWEQVMJKFUFZWGG-UHFFFAOYSA-N
XLogP4.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.19
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-fluoro-2-iodoanilino)methyl]benzoic acid
CID 79769454
4-fluoro-2-iodo-N-[(4-iodophenyl)methyl]aniline
CID 79769495
4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-2-iodoaniline
CID 79768891
N-[4-[(4-cyano-2-fluoroanilino)methyl]phenyl]acetamide
CID 78916095
2-bromo-4-[(4-fluoro-2-iodoanilino)methyl]phenol
CID 79769373
1-N-[(4-fluorophenyl)methyl]-2-iodobenzene-1,4-diamine
CID 66094964
1-(4-fluoro-2-iodophenyl)-3-(4-methylphenyl)urea
CID 79766973
N-[(4-bromo-3-fluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 81436731
N-[4-[(2-bromo-4-chloroanilino)methyl]phenyl]acetamide
CID 81264226
2-(4-fluoro-2-iodoanilino)acetic acid
CID 79769086
N-[4-[(4-bromo-3-fluoroanilino)methyl]phenyl]acetamide
CID 65435679
N-(4-acetamidophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109010043

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluoro-2-iodoanilino)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-fluoro-2-iodoanilino)methyl]phenyl]acetamide (CID 79768829) is N-[4-[(4-fluoro-2-iodoanilino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-fluoro-2-iodoanilino)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-fluoro-2-iodoanilino)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNc2ccc(F)cc2I)cc1.
What is the InChIKey of N-[4-[(4-fluoro-2-iodoanilino)methyl]phenyl]acetamide?
The InChIKey is WEQVMJKFUFZWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FIN2O/c1-10(20)19-13-5-2-11(3-6-13)9-18-15-7-4-12(16)8-14(15)17/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of N-[4-[(4-fluoro-2-iodoanilino)methyl]phenyl]acetamide?
N-[4-[(4-fluoro-2-iodoanilino)methyl]phenyl]acetamide has a molecular weight of 384.19 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluoro-2-iodoanilino)methyl]phenyl]acetamide is sourced from PubChem (CID 79768829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).