N-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide

C16H16FIN2O — CID 104859557

IUPACN-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide
SMILESNCCN(Cc1ccccc1)C(=O)c1ccc(F)cc1I
InChIInChI=1S/C16H16FIN2O/c17-13-6-7-14(15(18)10-13)16(21)20(9-8-19)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11,19H2
InChIKeyKVPLNGWNYJAXEE-UHFFFAOYSA-N
MW398.22 g/mol
LogP3.03
Rot. Bonds5

About N-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide

N-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide (PubChem CID 104859557) has the molecular formula C16H16FIN2O and a molecular weight of 398.22 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide
PubChem CID104859557
Molecular FormulaC16H16FIN2O
Molecular Weight398.22 g/mol
Exact Mass398.03
IUPAC NameN-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide
SMILESNCCN(Cc1ccccc1)C(=O)c1ccc(F)cc1I
InChIInChI=1S/C16H16FIN2O/c17-13-6-7-14(15(18)10-13)16(21)20(9-8-19)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11,19H2
InChIKeyKVPLNGWNYJAXEE-UHFFFAOYSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide
CID 104859477
N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide
CID 63047882
N-(2-aminoethyl)-N-benzyl-2-fluoro-4-hydroxybenzamide
CID 107674367
N-benzyl-2-chloro-N-(2-chloroethyl)-4-fluorobenzamide
CID 63390884
N-benzyl-N-(2-bromoethyl)-2,5-difluorobenzamide
CID 80655955
4-fluoro-N,N-bis(2-hydroxyethyl)-2-iodobenzamide
CID 103857248
N-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide
CID 104859489
N-(2-aminoethyl)-N-benzyl-3-iodobenzamide
CID 104859550
2-amino-N-benzyl-N-ethyl-4-fluorobenzamide
CID 63109647
N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide
CID 28642305
[2-(dibenzylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 23988753
N-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide
CID 61014053

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide (CID 104859557) is N-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide is NCCN(Cc1ccccc1)C(=O)c1ccc(F)cc1I.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide?
The InChIKey is KVPLNGWNYJAXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FIN2O/c17-13-6-7-14(15(18)10-13)16(21)20(9-8-19)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11,19H2.
What are the key properties of N-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide?
N-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide has a molecular weight of 398.22 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide is sourced from PubChem (CID 104859557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).