2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide

C17H17IN2O2 — CID 108539173

IUPAC2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
SMILESCc1cccc(C(=O)NCCNC(=O)c2ccccc2I)c1
InChIInChI=1S/C17H17IN2O2/c1-12-5-4-6-13(11-12)16(21)19-9-10-20-17(22)14-7-2-3-8-15(14)18/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyPNYUFLHIHLCKHK-UHFFFAOYSA-N
MW408.24 g/mol
LogP2.76
Rot. Bonds5

About 2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide

2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide (PubChem CID 108539173) has the molecular formula C17H17IN2O2 and a molecular weight of 408.24 g/mol. Its IUPAC name is 2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
PubChem CID108539173
Molecular FormulaC17H17IN2O2
Molecular Weight408.24 g/mol
Exact Mass408.03
IUPAC Name2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
SMILESCc1cccc(C(=O)NCCNC(=O)c2ccccc2I)c1
InChIInChI=1S/C17H17IN2O2/c1-12-5-4-6-13(11-12)16(21)19-9-10-20-17(22)14-7-2-3-8-15(14)18/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyPNYUFLHIHLCKHK-UHFFFAOYSA-N
XLogP2.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide 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

2-iodo-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide
CID 1089815
N-[2-[(2-iodobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide
CID 8990901
2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573742
2,3,4-trifluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108542494
2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573745
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate
CID 108571243
N-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]ethyl]-3-methylbenzamide
CID 95904798
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853
3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108573755
tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
CID 71248417
N-[2-[(3-bromobenzoyl)amino]ethyl]-2-methylbenzamide
CID 108539696

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide?
The IUPAC name of 2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide (CID 108539173) is 2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide is Cc1cccc(C(=O)NCCNC(=O)c2ccccc2I)c1.
What is the InChIKey of 2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide?
The InChIKey is PNYUFLHIHLCKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O2/c1-12-5-4-6-13(11-12)16(21)19-9-10-20-17(22)14-7-2-3-8-15(14)18/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide?
2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide has a molecular weight of 408.24 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 108539173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).