N-[2-(ethylamino)ethyl]-3-fluoro-4-iodobenzamide

C11H14FIN2O — CID 119508880

IUPACN-[2-(ethylamino)ethyl]-3-fluoro-4-iodobenzamide
SMILESCCNCCNC(=O)c1ccc(I)c(F)c1
InChIInChI=1S/C11H14FIN2O/c1-2-14-5-6-15-11(16)8-3-4-10(13)9(12)7-8/h3-4,7,14H,2,5-6H2,1H3,(H,15,16)
InChIKeyLCSOPNKJHFWFLQ-UHFFFAOYSA-N
MW336.15 g/mol
LogP1.77
Rot. Bonds5

About N-[2-(ethylamino)ethyl]-3-fluoro-4-iodobenzamide

N-[2-(ethylamino)ethyl]-3-fluoro-4-iodobenzamide (PubChem CID 119508880) has the molecular formula C11H14FIN2O and a molecular weight of 336.15 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-fluoro-4-iodobenzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-fluoro-4-iodobenzamide
PubChem CID119508880
Molecular FormulaC11H14FIN2O
Molecular Weight336.15 g/mol
Exact Mass336.01
IUPAC NameN-[2-(ethylamino)ethyl]-3-fluoro-4-iodobenzamide
SMILESCCNCCNC(=O)c1ccc(I)c(F)c1
InChIInChI=1S/C11H14FIN2O/c1-2-14-5-6-15-11(16)8-3-4-10(13)9(12)7-8/h3-4,7,14H,2,5-6H2,1H3,(H,15,16)
InChIKeyLCSOPNKJHFWFLQ-UHFFFAOYSA-N
XLogP1.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide
CID 119506215
3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119506214
3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 119508624
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride
CID 119508553
N-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride
CID 119504618
N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79733239
1-N-[2-(ethylamino)ethyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119508865
N-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide
CID 106753602
N-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride
CID 119506515
4-(difluoromethylsulfanyl)-N-[2-(ethylamino)ethyl]benzamide
CID 119507253
N-[3-(aminomethyl)pentan-3-yl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119571597

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-fluoro-4-iodobenzamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-fluoro-4-iodobenzamide (CID 119508880) is N-[2-(ethylamino)ethyl]-3-fluoro-4-iodobenzamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-fluoro-4-iodobenzamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-fluoro-4-iodobenzamide is CCNCCNC(=O)c1ccc(I)c(F)c1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-fluoro-4-iodobenzamide?
The InChIKey is LCSOPNKJHFWFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FIN2O/c1-2-14-5-6-15-11(16)8-3-4-10(13)9(12)7-8/h3-4,7,14H,2,5-6H2,1H3,(H,15,16).
What are the key properties of N-[2-(ethylamino)ethyl]-3-fluoro-4-iodobenzamide?
N-[2-(ethylamino)ethyl]-3-fluoro-4-iodobenzamide has a molecular weight of 336.15 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-fluoro-4-iodobenzamide is sourced from PubChem (CID 119508880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).