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

C14H12BrIN2O — CID 114283012

IUPAC2-(4-bromoanilino)-2-(4-iodophenyl)acetamide
SMILESNC(=O)C(Nc1ccc(Br)cc1)c1ccc(I)cc1
InChIInChI=1S/C14H12BrIN2O/c15-10-3-7-12(8-4-10)18-13(14(17)19)9-1-5-11(16)6-2-9/h1-8,13,18H,(H2,17,19)
InChIKeyDRBHSKMJNLCLKD-UHFFFAOYSA-N
MW431.07 g/mol
LogP3.69
Rot. Bonds4

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

2-(4-bromoanilino)-2-(4-iodophenyl)acetamide (PubChem CID 114283012) has the molecular formula C14H12BrIN2O and a molecular weight of 431.07 g/mol. Its IUPAC name is 2-(4-bromoanilino)-2-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-2-(4-iodophenyl)acetamide
PubChem CID114283012
Molecular FormulaC14H12BrIN2O
Molecular Weight431.07 g/mol
Exact Mass429.92
IUPAC Name2-(4-bromoanilino)-2-(4-iodophenyl)acetamide
SMILESNC(=O)C(Nc1ccc(Br)cc1)c1ccc(I)cc1
InChIInChI=1S/C14H12BrIN2O/c15-10-3-7-12(8-4-10)18-13(14(17)19)9-1-5-11(16)6-2-9/h1-8,13,18H,(H2,17,19)
InChIKeyDRBHSKMJNLCLKD-UHFFFAOYSA-N
XLogP3.69
TPSA55.12 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 ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-bromoanilino)-2-(4-iodophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4-bromophenyl)-2-[4-(2-hydroxyethyl)anilino]acetamide
CID 95621961
2-(4-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetamide
CID 62131360
2-(4-bromoanilino)-2-(4-hydroxyphenyl)acetic acid
CID 54890913
2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid
CID 54890320
2-(4-iodoanilino)butanamide
CID 62900403
2-[4-(difluoromethyl)phenyl]-2-(4-methylanilino)acetamide
CID 115524448
(2R)-2-(4-fluorophenyl)-2-(4-methylanilino)acetamide
CID 93381369
2-anilino-2-phenylacetamide;ethane
CID 142824395
3-(4-bromophenyl)-3-(4-iodoanilino)-1-phenylpropan-1-one
CID 17384303
2-(4-bromophenyl)-2-(2-hydroxyethylamino)acetamide
CID 54857240
2-(3-bromoanilino)-2-(4-chlorophenyl)acetamide
CID 54891742
2-(3-bromoanilino)-2-(4-propan-2-ylphenyl)acetamide
CID 61006544

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-2-(4-iodophenyl)acetamide?
The IUPAC name of 2-(4-bromoanilino)-2-(4-iodophenyl)acetamide (CID 114283012) is 2-(4-bromoanilino)-2-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-2-(4-iodophenyl)acetamide?
The canonical SMILES for 2-(4-bromoanilino)-2-(4-iodophenyl)acetamide is NC(=O)C(Nc1ccc(Br)cc1)c1ccc(I)cc1.
What is the InChIKey of 2-(4-bromoanilino)-2-(4-iodophenyl)acetamide?
The InChIKey is DRBHSKMJNLCLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrIN2O/c15-10-3-7-12(8-4-10)18-13(14(17)19)9-1-5-11(16)6-2-9/h1-8,13,18H,(H2,17,19).
What are the key properties of 2-(4-bromoanilino)-2-(4-iodophenyl)acetamide?
2-(4-bromoanilino)-2-(4-iodophenyl)acetamide has a molecular weight of 431.07 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-2-(4-iodophenyl)acetamide is sourced from PubChem (CID 114283012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).