3-iodo-N-[2-[(3-iodo-4-methylbenzoyl)amino]propyl]-4-methylbenzamide

C19H20I2N2O2 — CID 4531308

IUPAC3-iodo-N-[2-[(3-iodo-4-methylbenzoyl)amino]propyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(C)NC(=O)c2ccc(C)c(I)c2)cc1I
InChIInChI=1S/C19H20I2N2O2/c1-11-4-6-14(8-16(11)20)18(24)22-10-13(3)23-19(25)15-7-5-12(2)17(21)9-15/h4-9,13H,10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyWYJHFSVUCMIINK-UHFFFAOYSA-N
MW562.19 g/mol
LogP4.06
Rot. Bonds5

About 3-iodo-N-[2-[(3-iodo-4-methylbenzoyl)amino]propyl]-4-methylbenzamide

3-iodo-N-[2-[(3-iodo-4-methylbenzoyl)amino]propyl]-4-methylbenzamide (PubChem CID 4531308) has the molecular formula C19H20I2N2O2 and a molecular weight of 562.19 g/mol. Its IUPAC name is 3-iodo-N-[2-[(3-iodo-4-methylbenzoyl)amino]propyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-iodo-N-[2-[(3-iodo-4-methylbenzoyl)amino]propyl]-4-methylbenzamide
PubChem CID4531308
Molecular FormulaC19H20I2N2O2
Molecular Weight562.19 g/mol
Exact Mass561.96
IUPAC Name3-iodo-N-[2-[(3-iodo-4-methylbenzoyl)amino]propyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(C)NC(=O)c2ccc(C)c(I)c2)cc1I
InChIInChI=1S/C19H20I2N2O2/c1-11-4-6-14(8-16(11)20)18(24)22-10-13(3)23-19(25)15-7-5-12(2)17(21)9-15/h4-9,13H,10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyWYJHFSVUCMIINK-UHFFFAOYSA-N
XLogP4.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.19
LogP ≤ 54.06
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

3-iodo-4-methylbenzohydrazide
CID 59732500
4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide
CID 3100251
3-[(3,4-dimethylbenzoyl)amino]butanoic acid
CID 18370046
4-phenyl-N-[2-[(4-phenylbenzoyl)amino]propyl]benzamide
CID 3732499
3-chloro-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120828729
4-nitro-N-[(2S)-2-[(4-nitrobenzoyl)amino]propyl]benzamide
CID 7040519
3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829252
3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79030846
(2S)-3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 107833177
3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 66166822
3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 119464322
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[2-[(3-iodo-4-methylbenzoyl)amino]propyl]-4-methylbenzamide?
The IUPAC name of 3-iodo-N-[2-[(3-iodo-4-methylbenzoyl)amino]propyl]-4-methylbenzamide (CID 4531308) is 3-iodo-N-[2-[(3-iodo-4-methylbenzoyl)amino]propyl]-4-methylbenzamide.
What is the SMILES notation for 3-iodo-N-[2-[(3-iodo-4-methylbenzoyl)amino]propyl]-4-methylbenzamide?
The canonical SMILES for 3-iodo-N-[2-[(3-iodo-4-methylbenzoyl)amino]propyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(C)NC(=O)c2ccc(C)c(I)c2)cc1I.
What is the InChIKey of 3-iodo-N-[2-[(3-iodo-4-methylbenzoyl)amino]propyl]-4-methylbenzamide?
The InChIKey is WYJHFSVUCMIINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20I2N2O2/c1-11-4-6-14(8-16(11)20)18(24)22-10-13(3)23-19(25)15-7-5-12(2)17(21)9-15/h4-9,13H,10H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 3-iodo-N-[2-[(3-iodo-4-methylbenzoyl)amino]propyl]-4-methylbenzamide?
3-iodo-N-[2-[(3-iodo-4-methylbenzoyl)amino]propyl]-4-methylbenzamide has a molecular weight of 562.19 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[2-[(3-iodo-4-methylbenzoyl)amino]propyl]-4-methylbenzamide is sourced from PubChem (CID 4531308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).