N-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide

C16H14FIN2O2 — CID 27794667

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccccc1I
InChIInChI=1S/C16H14FIN2O2/c1-20(16(22)13-7-2-3-8-14(13)18)10-15(21)19-12-6-4-5-11(17)9-12/h2-9H,10H2,1H3,(H,19,21)
InChIKeyWEIWCDUKBOPMNM-UHFFFAOYSA-N
MW412.20 g/mol
LogP3.14
Rot. Bonds4

About N-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide (PubChem CID 27794667) has the molecular formula C16H14FIN2O2 and a molecular weight of 412.20 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide
PubChem CID27794667
Molecular FormulaC16H14FIN2O2
Molecular Weight412.20 g/mol
Exact Mass412.01
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccccc1I
InChIInChI=1S/C16H14FIN2O2/c1-20(16(22)13-7-2-3-8-14(13)18)10-15(21)19-12-6-4-5-11(17)9-12/h2-9H,10H2,1H3,(H,19,21)
InChIKeyWEIWCDUKBOPMNM-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.20
LogP ≤ 53.14
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-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 27794645
2-benzyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 24980231
2-(difluoromethoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 42056084
3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9439622
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 7936791
4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719433
5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 27794621
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 24982328
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide
CID 9439621
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 17393016
N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide
CID 8621107

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide (CID 27794667) is N-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccccc1I.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide?
The InChIKey is WEIWCDUKBOPMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FIN2O2/c1-20(16(22)13-7-2-3-8-14(13)18)10-15(21)19-12-6-4-5-11(17)9-12/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide has a molecular weight of 412.20 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide is sourced from PubChem (CID 27794667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).