5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide

C12H16ClIN2O2 — CID 119507340

IUPAC5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide
SMILESCCNCCNC(=O)c1cc(Cl)c(I)cc1OC
InChIInChI=1S/C12H16ClIN2O2/c1-3-15-4-5-16-12(17)8-6-9(13)10(14)7-11(8)18-2/h6-7,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyQWZCGLSVBODRCO-UHFFFAOYSA-N
MW382.63 g/mol
LogP2.29
Rot. Bonds6

About 5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide

5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide (PubChem CID 119507340) has the molecular formula C12H16ClIN2O2 and a molecular weight of 382.63 g/mol. Its IUPAC name is 5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide
PubChem CID119507340
Molecular FormulaC12H16ClIN2O2
Molecular Weight382.63 g/mol
Exact Mass381.99
IUPAC Name5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide
SMILESCCNCCNC(=O)c1cc(Cl)c(I)cc1OC
InChIInChI=1S/C12H16ClIN2O2/c1-3-15-4-5-16-12(17)8-6-9(13)10(14)7-11(8)18-2/h6-7,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyQWZCGLSVBODRCO-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.63
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide
CID 43419592
5-chloro-4-iodo-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 119432128
N-[2-(ethylamino)ethyl]-2,4,5-trimethoxybenzamide;hydrochloride
CID 119506932
5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-iodo-2-methoxybenzamide
CID 103877149
N-[3-(butan-2-ylamino)-3-oxopropyl]-5-chloro-4-iodo-2-methoxybenzamide
CID 55947023
5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55606907
propan-2-yl 2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]acetate
CID 56546801
5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide
CID 103770514
5-chloro-N-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide
CID 103771614
5-chloro-N-[3-[(1S,2R)-2-hydroxycyclopentyl]propyl]-4-iodo-2-methoxybenzamide
CID 97063254
N-[2-(ethylamino)ethyl]-2-iodo-4-methoxybenzamide
CID 119505130
5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-4-iodo-2-methoxybenzamide
CID 62522447

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide (CID 119507340) is 5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide is CCNCCNC(=O)c1cc(Cl)c(I)cc1OC.
What is the InChIKey of 5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide?
The InChIKey is QWZCGLSVBODRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClIN2O2/c1-3-15-4-5-16-12(17)8-6-9(13)10(14)7-11(8)18-2/h6-7,15H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide?
5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide has a molecular weight of 382.63 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide is sourced from PubChem (CID 119507340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).