N-[3-(2-aminoethoxy)phenyl]-4-iodobenzamide

C15H15IN2O2 — CID 63121269

IUPACN-[3-(2-aminoethoxy)phenyl]-4-iodobenzamide
SMILESNCCOc1cccc(NC(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C15H15IN2O2/c16-12-6-4-11(5-7-12)15(19)18-13-2-1-3-14(10-13)20-9-8-17/h1-7,10H,8-9,17H2,(H,18,19)
InChIKeyLWLUKFYYZCCPPC-UHFFFAOYSA-N
MW382.20 g/mol
LogP2.88
Rot. Bonds5

About N-[3-(2-aminoethoxy)phenyl]-4-iodobenzamide

N-[3-(2-aminoethoxy)phenyl]-4-iodobenzamide (PubChem CID 63121269) has the molecular formula C15H15IN2O2 and a molecular weight of 382.20 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-4-iodobenzamide
PubChem CID63121269
Molecular FormulaC15H15IN2O2
Molecular Weight382.20 g/mol
Exact Mass382.02
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-4-iodobenzamide
SMILESNCCOc1cccc(NC(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C15H15IN2O2/c16-12-6-4-11(5-7-12)15(19)18-13-2-1-3-14(10-13)20-9-8-17/h1-7,10H,8-9,17H2,(H,18,19)
InChIKeyLWLUKFYYZCCPPC-UHFFFAOYSA-N
XLogP2.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]-4-ethylbenzamide
CID 43369477
N-[3-(2-aminoethoxy)phenyl]-3-chloro-4-hydroxybenzamide
CID 63121177
N-[3-(2-aminoethoxy)phenyl]pyridazine-4-carboxamide
CID 104668880
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide
CID 63121176
4-bromo-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 54791265
3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea
CID 79154063
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
4-[4-[(3-propoxyphenyl)carbamoyl]phenoxy]benzamide
CID 56545720
N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide
CID 81481242
N-[3-(3-methoxypropoxy)phenyl]benzamide
CID 86997539

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-4-iodobenzamide?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-4-iodobenzamide (CID 63121269) is N-[3-(2-aminoethoxy)phenyl]-4-iodobenzamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-4-iodobenzamide?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-4-iodobenzamide is NCCOc1cccc(NC(=O)c2ccc(I)cc2)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-4-iodobenzamide?
The InChIKey is LWLUKFYYZCCPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O2/c16-12-6-4-11(5-7-12)15(19)18-13-2-1-3-14(10-13)20-9-8-17/h1-7,10H,8-9,17H2,(H,18,19).
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-4-iodobenzamide?
N-[3-(2-aminoethoxy)phenyl]-4-iodobenzamide has a molecular weight of 382.20 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]-4-iodobenzamide is sourced from PubChem (CID 63121269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).