N-[1-(3-aminophenyl)ethyl]-2-iodobenzamide

C15H15IN2O — CID 43297726

IUPACN-[1-(3-aminophenyl)ethyl]-2-iodobenzamide
SMILESCC(NC(=O)c1ccccc1I)c1cccc(N)c1
InChIInChI=1S/C15H15IN2O/c1-10(11-5-4-6-12(17)9-11)18-15(19)13-7-2-3-8-14(13)16/h2-10H,17H2,1H3,(H,18,19)
InChIKeyATADBYUOHJWRIC-UHFFFAOYSA-N
MW366.20 g/mol
LogP3.36
Rot. Bonds3

About N-[1-(3-aminophenyl)ethyl]-2-iodobenzamide

N-[1-(3-aminophenyl)ethyl]-2-iodobenzamide (PubChem CID 43297726) has the molecular formula C15H15IN2O and a molecular weight of 366.20 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-2-iodobenzamide
PubChem CID43297726
Molecular FormulaC15H15IN2O
Molecular Weight366.20 g/mol
Exact Mass366.02
IUPAC NameN-[1-(3-aminophenyl)ethyl]-2-iodobenzamide
SMILESCC(NC(=O)c1ccccc1I)c1cccc(N)c1
InChIInChI=1S/C15H15IN2O/c1-10(11-5-4-6-12(17)9-11)18-15(19)13-7-2-3-8-14(13)16/h2-10H,17H2,1H3,(H,18,19)
InChIKeyATADBYUOHJWRIC-UHFFFAOYSA-N
XLogP3.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-aminophenyl)ethyl]-2-methylsulfanylbenzamide
CID 78984463
N-[1-(3-aminophenyl)ethyl]benzamide
CID 43297605
2-iodo-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 61062698
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242817
2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide
CID 2981930
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242814
N-[1-(4-bromophenyl)ethyl]-2-iodobenzamide
CID 42906427
N-[1-(3-aminophenyl)ethyl]-2,5-dibromothiophene-3-carboxamide
CID 107959305
N-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide
CID 43297646
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
N-[1-(3-aminophenyl)ethyl]-2-bromo-5-fluorobenzamide
CID 43297707
N-[1-(3-aminophenyl)ethyl]-5-bromo-2-fluorobenzamide
CID 43297640

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-2-iodobenzamide?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-2-iodobenzamide (CID 43297726) is N-[1-(3-aminophenyl)ethyl]-2-iodobenzamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-2-iodobenzamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-2-iodobenzamide is CC(NC(=O)c1ccccc1I)c1cccc(N)c1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-2-iodobenzamide?
The InChIKey is ATADBYUOHJWRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O/c1-10(11-5-4-6-12(17)9-11)18-15(19)13-7-2-3-8-14(13)16/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of N-[1-(3-aminophenyl)ethyl]-2-iodobenzamide?
N-[1-(3-aminophenyl)ethyl]-2-iodobenzamide has a molecular weight of 366.20 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]-2-iodobenzamide is sourced from PubChem (CID 43297726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).