N-(3-aminopropyl)-2-iodo-N-methylbenzamide

C11H15IN2O — CID 81483846

IUPACN-(3-aminopropyl)-2-iodo-N-methylbenzamide
SMILESCN(CCCN)C(=O)c1ccccc1I
InChIInChI=1S/C11H15IN2O/c1-14(8-4-7-13)11(15)9-5-2-3-6-10(9)12/h2-3,5-6H,4,7-8,13H2,1H3
InChIKeySLXTYIXYUJICNZ-UHFFFAOYSA-N
MW318.16 g/mol
LogP1.71
Rot. Bonds4

About N-(3-aminopropyl)-2-iodo-N-methylbenzamide

N-(3-aminopropyl)-2-iodo-N-methylbenzamide (PubChem CID 81483846) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-iodo-N-methylbenzamide
PubChem CID81483846
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC NameN-(3-aminopropyl)-2-iodo-N-methylbenzamide
SMILESCN(CCCN)C(=O)c1ccccc1I
InChIInChI=1S/C11H15IN2O/c1-14(8-4-7-13)11(15)9-5-2-3-6-10(9)12/h2-3,5-6H,4,7-8,13H2,1H3
InChIKeySLXTYIXYUJICNZ-UHFFFAOYSA-N
XLogP1.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 51.71
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-(5-hydroxypentyl)-2-iodo-N-methylbenzamide
CID 107199930
2-iodo-N-[3-[(2-iodobenzoyl)-methylamino]propyl]benzamide
CID 43833989
2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 61381239
N-(4-aminobutyl)-N-methylbenzamide
CID 119088367
N-but-2-ynyl-2-iodo-N-methylbenzamide
CID 14943568
N-(3-aminopropyl)-N,3-dimethyl-2-nitrobenzamide
CID 81482524
4-[(2-iodo-3-methylbenzoyl)-methylamino]butanoic acid
CID 103790174
1-N,2-N-bis(2-hydroxyethyl)-1-N,2-N-dimethylbenzene-1,2-dicarboxamide
CID 54303134
2-iodo-N-[2-[(2-iodophenyl)methylamino]-2-oxoethyl]-N-methylbenzamide
CID 11318600
2-iodo-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 60631043
N-(3-aminopropyl)-4-hydroxy-N,2-dimethylbenzamide
CID 107670497
N-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide
CID 106499987

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-iodo-N-methylbenzamide?
The IUPAC name of N-(3-aminopropyl)-2-iodo-N-methylbenzamide (CID 81483846) is N-(3-aminopropyl)-2-iodo-N-methylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-2-iodo-N-methylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-2-iodo-N-methylbenzamide is CN(CCCN)C(=O)c1ccccc1I.
What is the InChIKey of N-(3-aminopropyl)-2-iodo-N-methylbenzamide?
The InChIKey is SLXTYIXYUJICNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c1-14(8-4-7-13)11(15)9-5-2-3-6-10(9)12/h2-3,5-6H,4,7-8,13H2,1H3.
What are the key properties of N-(3-aminopropyl)-2-iodo-N-methylbenzamide?
N-(3-aminopropyl)-2-iodo-N-methylbenzamide has a molecular weight of 318.16 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-iodo-N-methylbenzamide is sourced from PubChem (CID 81483846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).