2-(4-aminophenyl)-N-(2-ethyl-4-iodophenyl)acetamide

C16H17IN2O — CID 91676563

IUPAC2-(4-aminophenyl)-N-(2-ethyl-4-iodophenyl)acetamide
SMILESCCc1cc(I)ccc1NC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C16H17IN2O/c1-2-12-10-13(17)5-8-15(12)19-16(20)9-11-3-6-14(18)7-4-11/h3-8,10H,2,9,18H2,1H3,(H,19,20)
InChIKeyMHGIWJXKAABAMH-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.62
Rot. Bonds4

About 2-(4-aminophenyl)-N-(2-ethyl-4-iodophenyl)acetamide

2-(4-aminophenyl)-N-(2-ethyl-4-iodophenyl)acetamide (PubChem CID 91676563) has the molecular formula C16H17IN2O and a molecular weight of 380.23 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2-ethyl-4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2-ethyl-4-iodophenyl)acetamide
PubChem CID91676563
Molecular FormulaC16H17IN2O
Molecular Weight380.23 g/mol
Exact Mass380.04
IUPAC Name2-(4-aminophenyl)-N-(2-ethyl-4-iodophenyl)acetamide
SMILESCCc1cc(I)ccc1NC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C16H17IN2O/c1-2-12-10-13(17)5-8-15(12)19-16(20)9-11-3-6-14(18)7-4-11/h3-8,10H,2,9,18H2,1H3,(H,19,20)
InChIKeyMHGIWJXKAABAMH-UHFFFAOYSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-(2-chloro-4-iodophenyl)acetamide
CID 43713303
N-(2-ethyl-4-iodophenyl)cyclopropanecarboxamide
CID 171064344
N,N'-bis(2,4-diethylphenyl)propanediamide
CID 19008540
N-(2-chloro-4-iodophenyl)-2-phenylacetamide
CID 1371739
N-(2-ethyl-4-iodophenyl)-2-(2-methylphenoxy)acetamide
CID 1421738
N-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107033074
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide
CID 126588569
5-(3,4-dichlorophenyl)-N-(2-ethyl-4-iodophenyl)furan-2-carboxamide
CID 17117529
N-(2-fluoro-4-iodophenyl)-2-phenylacetamide
CID 2993907
2-(4-aminophenyl)-N-(5-chloro-2-fluorophenyl)acetamide
CID 43438160
2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 119745056
3,4-dichloro-N-(2-ethyl-4-iodophenyl)benzamide
CID 5014387

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2-ethyl-4-iodophenyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(2-ethyl-4-iodophenyl)acetamide (CID 91676563) is 2-(4-aminophenyl)-N-(2-ethyl-4-iodophenyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2-ethyl-4-iodophenyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(2-ethyl-4-iodophenyl)acetamide is CCc1cc(I)ccc1NC(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(2-ethyl-4-iodophenyl)acetamide?
The InChIKey is MHGIWJXKAABAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O/c1-2-12-10-13(17)5-8-15(12)19-16(20)9-11-3-6-14(18)7-4-11/h3-8,10H,2,9,18H2,1H3,(H,19,20).
What are the key properties of 2-(4-aminophenyl)-N-(2-ethyl-4-iodophenyl)acetamide?
2-(4-aminophenyl)-N-(2-ethyl-4-iodophenyl)acetamide has a molecular weight of 380.23 g/mol, XLogP of 3.62, 4 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-ethyl-4-iodophenyl)acetamide is sourced from PubChem (CID 91676563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).