2-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)benzamide

C15H14FIN2O — CID 79766785

IUPAC2-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)benzamide
SMILESNCCc1ccccc1C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C15H14FIN2O/c16-11-5-6-14(13(17)9-11)19-15(20)12-4-2-1-3-10(12)7-8-18/h1-6,9H,7-8,18H2,(H,19,20)
InChIKeyAQAVATNPJPOJKW-UHFFFAOYSA-N
MW384.19 g/mol
LogP3.18
Rot. Bonds4

About 2-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)benzamide

2-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)benzamide (PubChem CID 79766785) has the molecular formula C15H14FIN2O and a molecular weight of 384.19 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)benzamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)benzamide
PubChem CID79766785
Molecular FormulaC15H14FIN2O
Molecular Weight384.19 g/mol
Exact Mass384.01
IUPAC Name2-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)benzamide
SMILESNCCc1ccccc1C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C15H14FIN2O/c16-11-5-6-14(13(17)9-11)19-15(20)12-4-2-1-3-10(12)7-8-18/h1-6,9H,7-8,18H2,(H,19,20)
InChIKeyAQAVATNPJPOJKW-UHFFFAOYSA-N
XLogP3.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.19
LogP ≤ 53.18
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

N-(2,4-difluorophenyl)-2-(3-phenylpropyl)benzamide
CID 87114822
2,4-diamino-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768786
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
N-(4-chloro-2-iodophenyl)-2-ethylbenzamide
CID 113268300
3-amino-N-(4-fluoro-2-iodophenyl)-2-phenylpropanamide
CID 79766780
N-(2-bromo-4-fluorophenyl)-2-[2-(methylamino)ethyl]benzamide
CID 104547382
2-[(4-fluoro-2-iodoanilino)methyl]benzoic acid
CID 103256318
4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923
4-chloro-N-(4-fluoro-2-iodophenyl)-2-hydroxybenzamide
CID 79766720
3-amino-N-(4-fluoro-2-iodophenyl)-2-nitrobenzamide
CID 115549276
N-(4-fluoro-2-methylphenyl)-2-iodobenzamide
CID 7924517
2-(2-aminoethyl)-N-(2,6-dichlorophenyl)benzamide
CID 65467630

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)benzamide?
The IUPAC name of 2-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)benzamide (CID 79766785) is 2-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)benzamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)benzamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)benzamide is NCCc1ccccc1C(=O)Nc1ccc(F)cc1I.
What is the InChIKey of 2-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)benzamide?
The InChIKey is AQAVATNPJPOJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FIN2O/c16-11-5-6-14(13(17)9-11)19-15(20)12-4-2-1-3-10(12)7-8-18/h1-6,9H,7-8,18H2,(H,19,20).
What are the key properties of 2-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)benzamide?
2-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)benzamide has a molecular weight of 384.19 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)benzamide is sourced from PubChem (CID 79766785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).