N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide

C13H19IN2O — CID 51081725

IUPACN-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)N(C)C)c1I
InChIInChI=1S/C13H19IN2O/c1-9-6-5-7-11(12(9)14)13(17)15-8-10(2)16(3)4/h5-7,10H,8H2,1-4H3,(H,15,17)
InChIKeyBXDZLLOOOJNNPY-UHFFFAOYSA-N
MW346.21 g/mol
LogP2.28
Rot. Bonds4

About N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide

N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide (PubChem CID 51081725) has the molecular formula C13H19IN2O and a molecular weight of 346.21 g/mol. Its IUPAC name is N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide
PubChem CID51081725
Molecular FormulaC13H19IN2O
Molecular Weight346.21 g/mol
Exact Mass346.05
IUPAC NameN-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)N(C)C)c1I
InChIInChI=1S/C13H19IN2O/c1-9-6-5-7-11(12(9)14)13(17)15-8-10(2)16(3)4/h5-7,10H,8H2,1-4H3,(H,15,17)
InChIKeyBXDZLLOOOJNNPY-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 52.28
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-ethyl-2-iodo-3-methylbenzamide
CID 69076024
2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 113265693
2-bromo-N-[2-(dimethylamino)propyl]benzamide
CID 60748459
N-(3-aminobutyl)-2-iodo-3-methylbenzamide
CID 103806260
3-[3-[2-(dimethylamino)propylcarbamoyl]-2-methylphenyl]prop-2-enoic acid
CID 77073085
N-[2-(dimethylamino)propyl]-2-hydrazinylbenzamide
CID 62248398
ethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate
CID 47329540
2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47221536
N-[3-(diethylamino)propyl]-2-iodo-3-methylbenzamide
CID 113222868
2-bromo-N-[2-(dimethylamino)propyl]-5-iodobenzamide
CID 103994631
N-[(1-ethylcyclopropyl)methyl]-2-iodo-3-methylbenzamide
CID 103737209
2-iodo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide
CID 113230340

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide (CID 51081725) is N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide is Cc1cccc(C(=O)NCC(C)N(C)C)c1I.
What is the InChIKey of N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide?
The InChIKey is BXDZLLOOOJNNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2O/c1-9-6-5-7-11(12(9)14)13(17)15-8-10(2)16(3)4/h5-7,10H,8H2,1-4H3,(H,15,17).
What are the key properties of N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide?
N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide has a molecular weight of 346.21 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide is sourced from PubChem (CID 51081725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).