N-[(2R)-2-(ethylamino)propyl]-2-fluoro-6-iodobenzamide;hydrochloride

C12H17ClFIN2O — CID 120650172

IUPACN-[(2R)-2-(ethylamino)propyl]-2-fluoro-6-iodobenzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1c(F)cccc1I.Cl
InChIInChI=1S/C12H16FIN2O.ClH/c1-3-15-8(2)7-16-12(17)11-9(13)5-4-6-10(11)14;/h4-6,8,15H,3,7H2,1-2H3,(H,16,17);1H/t8-;/m1./s1
InChIKeyYSVYIHBJYJGJBK-DDWIOCJRSA-N
MW386.64 g/mol
LogP2.58
Rot. Bonds5

About N-[(2R)-2-(ethylamino)propyl]-2-fluoro-6-iodobenzamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-2-fluoro-6-iodobenzamide;hydrochloride (PubChem CID 120650172) has the molecular formula C12H17ClFIN2O and a molecular weight of 386.64 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-fluoro-6-iodobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-fluoro-6-iodobenzamide;hydrochloride
PubChem CID120650172
Molecular FormulaC12H17ClFIN2O
Molecular Weight386.64 g/mol
Exact Mass386.01
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-fluoro-6-iodobenzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1c(F)cccc1I.Cl
InChIInChI=1S/C12H16FIN2O.ClH/c1-3-15-8(2)7-16-12(17)11-9(13)5-4-6-10(11)14;/h4-6,8,15H,3,7H2,1-2H3,(H,16,17);1H/t8-;/m1./s1
InChIKeyYSVYIHBJYJGJBK-DDWIOCJRSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.64
LogP ≤ 52.58
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-cyanopropyl)-2-fluoro-6-iodobenzamide
CID 71918653
5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride
CID 120651308
N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide
CID 120651737
N-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide
CID 120654085
N-[(2R)-2-(ethylamino)propyl]-3,5-difluorobenzamide
CID 120653813
N-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide
CID 120650563
N-(2-aminopropyl)-2,6-difluorobenzamide
CID 63732942
N-[(2R)-2-(ethylamino)propyl]-2-(3-iodophenyl)acetamide;hydrochloride
CID 120652816
4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide
CID 120650065
2-acetyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120652333
2-fluoro-6-iodo-N-pent-3-enylbenzamide
CID 71918677
2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride
CID 120651990

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-fluoro-6-iodobenzamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-fluoro-6-iodobenzamide;hydrochloride (CID 120650172) is N-[(2R)-2-(ethylamino)propyl]-2-fluoro-6-iodobenzamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-fluoro-6-iodobenzamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-fluoro-6-iodobenzamide;hydrochloride is CCN[C@H](C)CNC(=O)c1c(F)cccc1I.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-fluoro-6-iodobenzamide;hydrochloride?
The InChIKey is YSVYIHBJYJGJBK-DDWIOCJRSA-N. The full InChI is InChI=1S/C12H16FIN2O.ClH/c1-3-15-8(2)7-16-12(17)11-9(13)5-4-6-10(11)14;/h4-6,8,15H,3,7H2,1-2H3,(H,16,17);1H/t8-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-fluoro-6-iodobenzamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-2-fluoro-6-iodobenzamide;hydrochloride has a molecular weight of 386.64 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-fluoro-6-iodobenzamide;hydrochloride is sourced from PubChem (CID 120650172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).