2-(3-iodoanilino)-N-phenylacetamide

C14H13IN2O — CID 28829964

IUPAC2-(3-iodoanilino)-N-phenylacetamide
SMILESO=C(CNc1cccc(I)c1)Nc1ccccc1
InChIInChI=1S/C14H13IN2O/c15-11-5-4-8-13(9-11)16-10-14(18)17-12-6-2-1-3-7-12/h1-9,16H,10H2,(H,17,18)
InChIKeyHKCYSAQEKJLVHC-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.34
Rot. Bonds4

About 2-(3-iodoanilino)-N-phenylacetamide

2-(3-iodoanilino)-N-phenylacetamide (PubChem CID 28829964) has the molecular formula C14H13IN2O and a molecular weight of 352.18 g/mol. Its IUPAC name is 2-(3-iodoanilino)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-iodoanilino)-N-phenylacetamide
PubChem CID28829964
Molecular FormulaC14H13IN2O
Molecular Weight352.18 g/mol
Exact Mass352.01
IUPAC Name2-(3-iodoanilino)-N-phenylacetamide
SMILESO=C(CNc1cccc(I)c1)Nc1ccccc1
InChIInChI=1S/C14H13IN2O/c15-11-5-4-8-13(9-11)16-10-14(18)17-12-6-2-1-3-7-12/h1-9,16H,10H2,(H,17,18)
InChIKeyHKCYSAQEKJLVHC-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.34
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

2-anilino-N-(3-iodophenyl)acetamide
CID 47107105
2-(3-iodoanilino)-N-propan-2-ylacetamide
CID 28829975
2-(3-bromoanilino)-N-(4-iodophenyl)acetamide
CID 26416177
3-(3-iodoanilino)-3-oxopropanoic acid
CID 62230564
N-cyclopropyl-2-(3-iodoanilino)acetamide
CID 28829963
2-(3,5-dimethylanilino)-N-phenylacetamide
CID 7636819
(2R)-2-[[2-(3-iodoanilino)-2-oxoethyl]amino]propanoic acid
CID 83194447
2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide
CID 9101293
methyl 2-(3-iodoanilino)acetate
CID 19829858
2-(3,5-dimethylanilino)-N-phenylacetamide;hydrochloride
CID 50988159
N-(3-iodophenyl)-3,3-diphenylpropanamide
CID 1297500
2-[[2-(3-iodoanilino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771974

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodoanilino)-N-phenylacetamide?
The IUPAC name of 2-(3-iodoanilino)-N-phenylacetamide (CID 28829964) is 2-(3-iodoanilino)-N-phenylacetamide.
What is the SMILES notation for 2-(3-iodoanilino)-N-phenylacetamide?
The canonical SMILES for 2-(3-iodoanilino)-N-phenylacetamide is O=C(CNc1cccc(I)c1)Nc1ccccc1.
What is the InChIKey of 2-(3-iodoanilino)-N-phenylacetamide?
The InChIKey is HKCYSAQEKJLVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O/c15-11-5-4-8-13(9-11)16-10-14(18)17-12-6-2-1-3-7-12/h1-9,16H,10H2,(H,17,18).
What are the key properties of 2-(3-iodoanilino)-N-phenylacetamide?
2-(3-iodoanilino)-N-phenylacetamide has a molecular weight of 352.18 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodoanilino)-N-phenylacetamide is sourced from PubChem (CID 28829964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).