N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-2-iodobenzamide

C14H18FIN2O — CID 113230894

IUPACN-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-2-iodobenzamide
SMILESCC(CNC(=O)c1ccc(F)cc1I)N(C)C1CC1
InChIInChI=1S/C14H18FIN2O/c1-9(18(2)11-4-5-11)8-17-14(19)12-6-3-10(15)7-13(12)16/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,17,19)
InChIKeyGIKQOQRLXKNINY-UHFFFAOYSA-N
MW376.21 g/mol
LogP2.64
Rot. Bonds5

About N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-2-iodobenzamide

N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-2-iodobenzamide (PubChem CID 113230894) has the molecular formula C14H18FIN2O and a molecular weight of 376.21 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-2-iodobenzamide
PubChem CID113230894
Molecular FormulaC14H18FIN2O
Molecular Weight376.21 g/mol
Exact Mass376.04
IUPAC NameN-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-2-iodobenzamide
SMILESCC(CNC(=O)c1ccc(F)cc1I)N(C)C1CC1
InChIInChI=1S/C14H18FIN2O/c1-9(18(2)11-4-5-11)8-17-14(19)12-6-3-10(15)7-13(12)16/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,17,19)
InChIKeyGIKQOQRLXKNINY-UHFFFAOYSA-N
XLogP2.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 52.64
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-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride
CID 119995600
N-[2-[cyclopropyl(methyl)amino]propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717932
N-[2-[cyclopropyl(methyl)amino]propyl]-3-hydroxypyridine-4-carboxamide
CID 103762346
5-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)benzamide
CID 103529934
N-[2-[cyclopropyl(methyl)amino]propyl]-5-hydroxy-2-nitrobenzamide
CID 107363049
4-fluoro-2-iodo-N',N'-dimethylbenzohydrazide
CID 103626497
N-(2,2-dimethylbutyl)-4-fluoro-2-iodobenzamide
CID 106547719
3-amino-N-[2-[cyclopropyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119875581
4-fluoro-2-iodo-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 55688167
2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
CID 60748378
2-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
CID 54916025
2-[1-[2-[cyclopropyl(methyl)amino]propylamino]ethyl]-4-fluorophenol
CID 104582321

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-2-iodobenzamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-2-iodobenzamide (CID 113230894) is N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-2-iodobenzamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-2-iodobenzamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-2-iodobenzamide is CC(CNC(=O)c1ccc(F)cc1I)N(C)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-2-iodobenzamide?
The InChIKey is GIKQOQRLXKNINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FIN2O/c1-9(18(2)11-4-5-11)8-17-14(19)12-6-3-10(15)7-13(12)16/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,17,19).
What are the key properties of N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-2-iodobenzamide?
N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-2-iodobenzamide has a molecular weight of 376.21 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-2-iodobenzamide is sourced from PubChem (CID 113230894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).