2-(4-aminophenyl)-N-(2-iodophenyl)-2-methylpropanamide

C16H17IN2O — CID 80555846

IUPAC2-(4-aminophenyl)-N-(2-iodophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccccc1I)c1ccc(N)cc1
InChIInChI=1S/C16H17IN2O/c1-16(2,11-7-9-12(18)10-8-11)15(20)19-14-6-4-3-5-13(14)17/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyQJJBCEHWMRBLFZ-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.79
Rot. Bonds3

About 2-(4-aminophenyl)-N-(2-iodophenyl)-2-methylpropanamide

2-(4-aminophenyl)-N-(2-iodophenyl)-2-methylpropanamide (PubChem CID 80555846) has the molecular formula C16H17IN2O and a molecular weight of 380.23 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2-iodophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2-iodophenyl)-2-methylpropanamide
PubChem CID80555846
Molecular FormulaC16H17IN2O
Molecular Weight380.23 g/mol
Exact Mass380.04
IUPAC Name2-(4-aminophenyl)-N-(2-iodophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccccc1I)c1ccc(N)cc1
InChIInChI=1S/C16H17IN2O/c1-16(2,11-7-9-12(18)10-8-11)15(20)19-14-6-4-3-5-13(14)17/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyQJJBCEHWMRBLFZ-UHFFFAOYSA-N
XLogP3.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-iodophenyl)-2-methylpropanamide
CID 61264402
3-amino-N-(2-iodophenyl)-2,2,3-trimethylbutanamide
CID 65264488
2-(4-aminophenyl)-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 80549576
2-(4-aminophenyl)-N-(4-chloro-2-fluorophenyl)-2-methylpropanamide
CID 80555203
2-(4-aminophenyl)-N-(4-fluoro-2-methylphenyl)-2-methylpropanamide
CID 80549657
3-amino-N-(2-iodophenyl)-3-methylbutanamide
CID 64684765
N-(2-ethylphenyl)-2-methyl-2-phenylpropanamide
CID 8839434
2-(4-aminophenyl)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide
CID 80556333
2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methoxybenzoic acid
CID 110451690
2-(4-aminophenyl)-N-cyano-2-methylpropanamide
CID 80556066
2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide
CID 104828198
2-(4-aminophenyl)-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 80555200

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2-iodophenyl)-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-(2-iodophenyl)-2-methylpropanamide (CID 80555846) is 2-(4-aminophenyl)-N-(2-iodophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2-iodophenyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(2-iodophenyl)-2-methylpropanamide is CC(C)(C(=O)Nc1ccccc1I)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(2-iodophenyl)-2-methylpropanamide?
The InChIKey is QJJBCEHWMRBLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O/c1-16(2,11-7-9-12(18)10-8-11)15(20)19-14-6-4-3-5-13(14)17/h3-10H,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-aminophenyl)-N-(2-iodophenyl)-2-methylpropanamide?
2-(4-aminophenyl)-N-(2-iodophenyl)-2-methylpropanamide has a molecular weight of 380.23 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(2-iodophenyl)-2-methylpropanamide is sourced from PubChem (CID 80555846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).