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

C12H17IN2O — CID 103806260

IUPACN-(3-aminobutyl)-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC(C)N)c1I
InChIInChI=1S/C12H17IN2O/c1-8-4-3-5-10(11(8)13)12(16)15-7-6-9(2)14/h3-5,9H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyALZIWTPDPLTMCR-UHFFFAOYSA-N
MW332.19 g/mol
LogP2.07
Rot. Bonds4

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

N-(3-aminobutyl)-2-iodo-3-methylbenzamide (PubChem CID 103806260) has the molecular formula C12H17IN2O and a molecular weight of 332.19 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-iodo-3-methylbenzamide
PubChem CID103806260
Molecular FormulaC12H17IN2O
Molecular Weight332.19 g/mol
Exact Mass332.04
IUPAC NameN-(3-aminobutyl)-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCC(C)N)c1I
InChIInChI=1S/C12H17IN2O/c1-8-4-3-5-10(11(8)13)12(16)15-7-6-9(2)14/h3-5,9H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyALZIWTPDPLTMCR-UHFFFAOYSA-N
XLogP2.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 52.07
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

2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47221536
N-ethyl-2-iodo-3-methylbenzamide
CID 69076024
ethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate
CID 47329540
2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 113265693
N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide
CID 51081725
2-iodo-N-[2-(2-methoxyethoxy)ethyl]-3-methylbenzamide
CID 113223555
N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide
CID 103708603
N-(3-aminobutyl)-2,4-dimethylbenzamide
CID 63254051
N-(3-aminobutyl)-2-propan-2-ylsulfanylbenzamide
CID 119498074
2-iodo-3-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 102685129
N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543
N-[3-(diethylamino)propyl]-2-iodo-3-methylbenzamide
CID 113222868

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-iodo-3-methylbenzamide?
The IUPAC name of N-(3-aminobutyl)-2-iodo-3-methylbenzamide (CID 103806260) is N-(3-aminobutyl)-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-(3-aminobutyl)-2-iodo-3-methylbenzamide?
The canonical SMILES for N-(3-aminobutyl)-2-iodo-3-methylbenzamide is Cc1cccc(C(=O)NCCC(C)N)c1I.
What is the InChIKey of N-(3-aminobutyl)-2-iodo-3-methylbenzamide?
The InChIKey is ALZIWTPDPLTMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O/c1-8-4-3-5-10(11(8)13)12(16)15-7-6-9(2)14/h3-5,9H,6-7,14H2,1-2H3,(H,15,16).
What are the key properties of N-(3-aminobutyl)-2-iodo-3-methylbenzamide?
N-(3-aminobutyl)-2-iodo-3-methylbenzamide has a molecular weight of 332.19 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-iodo-3-methylbenzamide is sourced from PubChem (CID 103806260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).