4-iodo-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide

C16H15IN2O2 — CID 35364713

IUPAC4-iodo-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
SMILESCNC(=O)Cc1ccc(NC(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C16H15IN2O2/c1-18-15(20)10-11-2-8-14(9-3-11)19-16(21)12-4-6-13(17)7-5-12/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyZFUDJQZDYJSWJF-UHFFFAOYSA-N
MW394.21 g/mol
LogP2.83
Rot. Bonds4

About 4-iodo-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide

4-iodo-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide (PubChem CID 35364713) has the molecular formula C16H15IN2O2 and a molecular weight of 394.21 g/mol. Its IUPAC name is 4-iodo-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
PubChem CID35364713
Molecular FormulaC16H15IN2O2
Molecular Weight394.21 g/mol
Exact Mass394.02
IUPAC Name4-iodo-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
SMILESCNC(=O)Cc1ccc(NC(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C16H15IN2O2/c1-18-15(20)10-11-2-8-14(9-3-11)19-16(21)12-4-6-13(17)7-5-12/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyZFUDJQZDYJSWJF-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 52.83
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-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 43707293
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
N-(4-iodophenyl)-4-(methoxymethyl)benzamide
CID 8571988
N-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide
CID 31416592
4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 38402732
N-(4-iodophenyl)-4-(methanesulfonamido)benzamide
CID 1289280
N-(4-iodophenyl)-4-methylsulfanylbenzamide
CID 8571979
4-(dimethylamino)-N-(4-iodophenyl)benzamide
CID 590767
N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide
CID 100591745
ethyl 4-[(4-iodobenzoyl)amino]benzoate
CID 1372273
1-N,3-N,5-N-tris(4-iodophenyl)benzene-1,3,5-tricarboxamide
CID 102258249
4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
CID 54780731

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide?
The IUPAC name of 4-iodo-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide (CID 35364713) is 4-iodo-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide.
What is the SMILES notation for 4-iodo-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide?
The canonical SMILES for 4-iodo-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide is CNC(=O)Cc1ccc(NC(=O)c2ccc(I)cc2)cc1.
What is the InChIKey of 4-iodo-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide?
The InChIKey is ZFUDJQZDYJSWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O2/c1-18-15(20)10-11-2-8-14(9-3-11)19-16(21)12-4-6-13(17)7-5-12/h2-9H,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 4-iodo-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide?
4-iodo-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide has a molecular weight of 394.21 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide is sourced from PubChem (CID 35364713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).