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

C15H23IN2O — CID 113222868

IUPACN-[3-(diethylamino)propyl]-2-iodo-3-methylbenzamide
SMILESCCN(CC)CCCNC(=O)c1cccc(C)c1I
InChIInChI=1S/C15H23IN2O/c1-4-18(5-2)11-7-10-17-15(19)13-9-6-8-12(3)14(13)16/h6,8-9H,4-5,7,10-11H2,1-3H3,(H,17,19)
InChIKeyRSQZSGNTWLQFOZ-UHFFFAOYSA-N
MW374.27 g/mol
LogP3.06
Rot. Bonds7

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

N-[3-(diethylamino)propyl]-2-iodo-3-methylbenzamide (PubChem CID 113222868) has the molecular formula C15H23IN2O and a molecular weight of 374.27 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-iodo-3-methylbenzamide
PubChem CID113222868
Molecular FormulaC15H23IN2O
Molecular Weight374.27 g/mol
Exact Mass374.09
IUPAC NameN-[3-(diethylamino)propyl]-2-iodo-3-methylbenzamide
SMILESCCN(CC)CCCNC(=O)c1cccc(C)c1I
InChIInChI=1S/C15H23IN2O/c1-4-18(5-2)11-7-10-17-15(19)13-9-6-8-12(3)14(13)16/h6,8-9H,4-5,7,10-11H2,1-3H3,(H,17,19)
InChIKeyRSQZSGNTWLQFOZ-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[3-(diethylamino)propyl]-2-iodo-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-iodo-3-methylbenzamide
CID 69076024
2-iodo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide
CID 113230340
N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide
CID 51081725
N-[3-(diethylamino)propyl]-2-(propylamino)benzamide
CID 62165335
N-[5-(diethylamino)pentyl]naphthalene-1-carboxamide
CID 110440172
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
2-iodo-N-[2-(2-methoxyethoxy)ethyl]-3-methylbenzamide
CID 113223555
N-(3-aminobutyl)-2-iodo-3-methylbenzamide
CID 103806260
N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide
CID 103708603
N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide
CID 104916525
5-bromo-N-[3-(diethylamino)propyl]-2-iodobenzamide
CID 103600067
N-[3-(diethylamino)propyl]-2-nitrobenzamide
CID 3286089

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-iodo-3-methylbenzamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-iodo-3-methylbenzamide (CID 113222868) is N-[3-(diethylamino)propyl]-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-iodo-3-methylbenzamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-iodo-3-methylbenzamide is CCN(CC)CCCNC(=O)c1cccc(C)c1I.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-iodo-3-methylbenzamide?
The InChIKey is RSQZSGNTWLQFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN2O/c1-4-18(5-2)11-7-10-17-15(19)13-9-6-8-12(3)14(13)16/h6,8-9H,4-5,7,10-11H2,1-3H3,(H,17,19).
What are the key properties of N-[3-(diethylamino)propyl]-2-iodo-3-methylbenzamide?
N-[3-(diethylamino)propyl]-2-iodo-3-methylbenzamide has a molecular weight of 374.27 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-iodo-3-methylbenzamide is sourced from PubChem (CID 113222868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).