N-(3-aminophenyl)-N-[(2-iodophenyl)carbamoyl]acetamide

C15H14IN3O2 — CID 108868989

IUPACN-(3-aminophenyl)-N-[(2-iodophenyl)carbamoyl]acetamide
SMILESCC(=O)N(C(=O)Nc1ccccc1I)c1cccc(N)c1
InChIInChI=1S/C15H14IN3O2/c1-10(20)19(12-6-4-5-11(17)9-12)15(21)18-14-8-3-2-7-13(14)16/h2-9H,17H2,1H3,(H,18,21)
InChIKeyXWCZGWLQMIHHOE-UHFFFAOYSA-N
MW395.20 g/mol
LogP3.46
Rot. Bonds2

About N-(3-aminophenyl)-N-[(2-iodophenyl)carbamoyl]acetamide

N-(3-aminophenyl)-N-[(2-iodophenyl)carbamoyl]acetamide (PubChem CID 108868989) has the molecular formula C15H14IN3O2 and a molecular weight of 395.20 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-[(2-iodophenyl)carbamoyl]acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-[(2-iodophenyl)carbamoyl]acetamide
PubChem CID108868989
Molecular FormulaC15H14IN3O2
Molecular Weight395.20 g/mol
Exact Mass395.01
IUPAC NameN-(3-aminophenyl)-N-[(2-iodophenyl)carbamoyl]acetamide
SMILESCC(=O)N(C(=O)Nc1ccccc1I)c1cccc(N)c1
InChIInChI=1S/C15H14IN3O2/c1-10(20)19(12-6-4-5-11(17)9-12)15(21)18-14-8-3-2-7-13(14)16/h2-9H,17H2,1H3,(H,18,21)
InChIKeyXWCZGWLQMIHHOE-UHFFFAOYSA-N
XLogP3.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide
CID 108895501
N-(3-aminophenyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]acetamide
CID 108871858
N-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide
CID 108884825
N'-acetyl-N'-(3-aminophenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108516382
N'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide
CID 108501598
N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide
CID 108520930
N-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide
CID 108899099
N'-acetyl-N'-(3-aminophenyl)-N-pyridin-2-yloxamide
CID 108525895
N'-acetyl-N'-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)oxamide
CID 108526488
N-(3-aminophenyl)-N-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide
CID 108873346
N'-acetyl-N'-(3-aminophenyl)-N-naphthalen-2-yloxamide
CID 108526505
N-(3-aminophenyl)-N-[[(E)-2-(4-bromophenyl)ethenyl]carbamoyl]acetamide
CID 108908852

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-[(2-iodophenyl)carbamoyl]acetamide?
The IUPAC name of N-(3-aminophenyl)-N-[(2-iodophenyl)carbamoyl]acetamide (CID 108868989) is N-(3-aminophenyl)-N-[(2-iodophenyl)carbamoyl]acetamide.
What is the SMILES notation for N-(3-aminophenyl)-N-[(2-iodophenyl)carbamoyl]acetamide?
The canonical SMILES for N-(3-aminophenyl)-N-[(2-iodophenyl)carbamoyl]acetamide is CC(=O)N(C(=O)Nc1ccccc1I)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-N-[(2-iodophenyl)carbamoyl]acetamide?
The InChIKey is XWCZGWLQMIHHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN3O2/c1-10(20)19(12-6-4-5-11(17)9-12)15(21)18-14-8-3-2-7-13(14)16/h2-9H,17H2,1H3,(H,18,21).
What are the key properties of N-(3-aminophenyl)-N-[(2-iodophenyl)carbamoyl]acetamide?
N-(3-aminophenyl)-N-[(2-iodophenyl)carbamoyl]acetamide has a molecular weight of 395.20 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-[(2-iodophenyl)carbamoyl]acetamide is sourced from PubChem (CID 108868989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).