N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide

C19H22IN3O2 — CID 54812461

IUPACN,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2ccc(I)cc2)cc1
InChIInChI=1S/C19H22IN3O2/c1-3-23(4-2)19(25)14-5-9-17(10-6-14)22-18(24)13-21-16-11-7-15(20)8-12-16/h5-12,21H,3-4,13H2,1-2H3,(H,22,24)
InChIKeyIBOUJZFWBKEGGZ-UHFFFAOYSA-N
MW451.31 g/mol
LogP3.82
Rot. Bonds7

About N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide

N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide (PubChem CID 54812461) has the molecular formula C19H22IN3O2 and a molecular weight of 451.31 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide
PubChem CID54812461
Molecular FormulaC19H22IN3O2
Molecular Weight451.31 g/mol
Exact Mass451.08
IUPAC NameN,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2ccc(I)cc2)cc1
InChIInChI=1S/C19H22IN3O2/c1-3-23(4-2)19(25)14-5-9-17(10-6-14)22-18(24)13-21-16-11-7-15(20)8-12-16/h5-12,21H,3-4,13H2,1-2H3,(H,22,24)
InChIKeyIBOUJZFWBKEGGZ-UHFFFAOYSA-N
XLogP3.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.31
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832241
4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834198
4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54846187
4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54811099
4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834231
N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54834104
4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838604
N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54834109
N,N-diethyl-4-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820671
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 30706648
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
N,N-diethyl-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54834336

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide (CID 54812461) is N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)CNc2ccc(I)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide?
The InChIKey is IBOUJZFWBKEGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22IN3O2/c1-3-23(4-2)19(25)14-5-9-17(10-6-14)22-18(24)13-21-16-11-7-15(20)8-12-16/h5-12,21H,3-4,13H2,1-2H3,(H,22,24).
What are the key properties of N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide?
N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide has a molecular weight of 451.31 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54812461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).