2-(3-bromoanilino)-N-(4-iodophenyl)acetamide

C14H12BrIN2O — CID 26416177

IUPAC2-(3-bromoanilino)-N-(4-iodophenyl)acetamide
SMILESO=C(CNc1cccc(Br)c1)Nc1ccc(I)cc1
InChIInChI=1S/C14H12BrIN2O/c15-10-2-1-3-13(8-10)17-9-14(19)18-12-6-4-11(16)5-7-12/h1-8,17H,9H2,(H,18,19)
InChIKeyGMTLXDZINJZOLU-UHFFFAOYSA-N
MW431.07 g/mol
LogP4.10
Rot. Bonds4

About 2-(3-bromoanilino)-N-(4-iodophenyl)acetamide

2-(3-bromoanilino)-N-(4-iodophenyl)acetamide (PubChem CID 26416177) has the molecular formula C14H12BrIN2O and a molecular weight of 431.07 g/mol. Its IUPAC name is 2-(3-bromoanilino)-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-N-(4-iodophenyl)acetamide
PubChem CID26416177
Molecular FormulaC14H12BrIN2O
Molecular Weight431.07 g/mol
Exact Mass429.92
IUPAC Name2-(3-bromoanilino)-N-(4-iodophenyl)acetamide
SMILESO=C(CNc1cccc(Br)c1)Nc1ccc(I)cc1
InChIInChI=1S/C14H12BrIN2O/c15-10-2-1-3-13(8-10)17-9-14(19)18-12-6-4-11(16)5-7-12/h1-8,17H,9H2,(H,18,19)
InChIKeyGMTLXDZINJZOLU-UHFFFAOYSA-N
XLogP4.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.07
LogP ≤ 54.10
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-(3-bromoanilino)-N-(4-chlorophenyl)acetamide
CID 9080372
4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 46633398
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
methyl 4-[[2-(3-bromoanilino)acetyl]amino]benzoate
CID 603629
2-(3-cyanoanilino)-N-(4-iodophenyl)acetamide
CID 9101293
2-(3-iodoanilino)-N-phenylacetamide
CID 28829964
2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9080374
N-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide
CID 54840105
3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide
CID 33159048
N-(3-bromophenyl)-2-(4-cyanoanilino)acetamide
CID 26437461
N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 54840404
N-(3-bromophenyl)-2-(2,4,6-tribromoanilino)acetamide
CID 43126391

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-(3-bromoanilino)-N-(4-iodophenyl)acetamide (CID 26416177) is 2-(3-bromoanilino)-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-(3-bromoanilino)-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-(3-bromoanilino)-N-(4-iodophenyl)acetamide is O=C(CNc1cccc(Br)c1)Nc1ccc(I)cc1.
What is the InChIKey of 2-(3-bromoanilino)-N-(4-iodophenyl)acetamide?
The InChIKey is GMTLXDZINJZOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrIN2O/c15-10-2-1-3-13(8-10)17-9-14(19)18-12-6-4-11(16)5-7-12/h1-8,17H,9H2,(H,18,19).
What are the key properties of 2-(3-bromoanilino)-N-(4-iodophenyl)acetamide?
2-(3-bromoanilino)-N-(4-iodophenyl)acetamide has a molecular weight of 431.07 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 26416177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).