4-[(4-fluorobenzoyl)amino]-N-[2-[(4-iodobenzoyl)amino]ethyl]benzamide

C23H19FIN3O3 — CID 121062019

IUPAC4-[(4-fluorobenzoyl)amino]-N-[2-[(4-iodobenzoyl)amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccc(I)cc1
InChIInChI=1S/C23H19FIN3O3/c24-18-7-1-17(2-8-18)23(31)28-20-11-5-16(6-12-20)22(30)27-14-13-26-21(29)15-3-9-19(25)10-4-15/h1-12H,13-14H2,(H,26,29)(H,27,30)(H,28,31)
InChIKeyIKJINDISBQVOHP-UHFFFAOYSA-N
MW531.33 g/mol
LogP3.84
Rot. Bonds7

About 4-[(4-fluorobenzoyl)amino]-N-[2-[(4-iodobenzoyl)amino]ethyl]benzamide

4-[(4-fluorobenzoyl)amino]-N-[2-[(4-iodobenzoyl)amino]ethyl]benzamide (PubChem CID 121062019) has the molecular formula C23H19FIN3O3 and a molecular weight of 531.33 g/mol. Its IUPAC name is 4-[(4-fluorobenzoyl)amino]-N-[2-[(4-iodobenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-[(4-fluorobenzoyl)amino]-N-[2-[(4-iodobenzoyl)amino]ethyl]benzamide
PubChem CID121062019
Molecular FormulaC23H19FIN3O3
Molecular Weight531.33 g/mol
Exact Mass531.05
IUPAC Name4-[(4-fluorobenzoyl)amino]-N-[2-[(4-iodobenzoyl)amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccc(I)cc1
InChIInChI=1S/C23H19FIN3O3/c24-18-7-1-17(2-8-18)23(31)28-20-11-5-16(6-12-20)22(30)27-14-13-26-21(29)15-3-9-19(25)10-4-15/h1-12H,13-14H2,(H,26,29)(H,27,30)(H,28,31)
InChIKeyIKJINDISBQVOHP-UHFFFAOYSA-N
XLogP3.84
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.33
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17218182
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
3,5-difluoro-N-(4-iodophenyl)benzamide
CID 3874548
methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate
CID 46828278
methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate
CID 9049144
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
N-[2-[(4-ethylphenyl)carbamothioylamino]ethyl]-4-fluorobenzamide
CID 47510248
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorobenzoyl)amino]-N-[2-[(4-iodobenzoyl)amino]ethyl]benzamide?
The IUPAC name of 4-[(4-fluorobenzoyl)amino]-N-[2-[(4-iodobenzoyl)amino]ethyl]benzamide (CID 121062019) is 4-[(4-fluorobenzoyl)amino]-N-[2-[(4-iodobenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-[(4-fluorobenzoyl)amino]-N-[2-[(4-iodobenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 4-[(4-fluorobenzoyl)amino]-N-[2-[(4-iodobenzoyl)amino]ethyl]benzamide is O=C(NCCNC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccc(I)cc1.
What is the InChIKey of 4-[(4-fluorobenzoyl)amino]-N-[2-[(4-iodobenzoyl)amino]ethyl]benzamide?
The InChIKey is IKJINDISBQVOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FIN3O3/c24-18-7-1-17(2-8-18)23(31)28-20-11-5-16(6-12-20)22(30)27-14-13-26-21(29)15-3-9-19(25)10-4-15/h1-12H,13-14H2,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of 4-[(4-fluorobenzoyl)amino]-N-[2-[(4-iodobenzoyl)amino]ethyl]benzamide?
4-[(4-fluorobenzoyl)amino]-N-[2-[(4-iodobenzoyl)amino]ethyl]benzamide has a molecular weight of 531.33 g/mol, XLogP of 3.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorobenzoyl)amino]-N-[2-[(4-iodobenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 121062019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).