N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide

C22H18FN3O3 — CID 39889179

IUPACN-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c1
InChIInChI=1S/C22H18FN3O3/c1-14(27)24-19-6-3-7-20(13-19)26-22(29)16-4-2-5-18(12-16)25-21(28)15-8-10-17(23)11-9-15/h2-13H,1H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyVNCUKIIWGANSHM-UHFFFAOYSA-N
MW391.40 g/mol
LogP4.29
Rot. Bonds5

About N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide

N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide (PubChem CID 39889179) has the molecular formula C22H18FN3O3 and a molecular weight of 391.40 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
PubChem CID39889179
Molecular FormulaC22H18FN3O3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC NameN-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c1
InChIInChI=1S/C22H18FN3O3/c1-14(27)24-19-6-3-7-20(13-19)26-22(29)16-4-2-5-18(12-16)25-21(28)15-8-10-17(23)11-9-15/h2-13H,1H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyVNCUKIIWGANSHM-UHFFFAOYSA-N
XLogP4.29
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
3-acetamido-N-(3,5-difluorophenyl)benzamide
CID 17427227
N-[3-[1-[2-(4-fluorobenzoyl)hydrazinyl]ethenyl]phenyl]acetamide
CID 2690799
N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide
CID 19062960
3-[(4-fluorobenzoyl)amino]-N-(2-hydroxyethyl)benzamide
CID 110888564
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
N-(3-acetamidophenyl)-3-chloro-4-fluorobenzamide
CID 110764762
N-(3-acetamidophenyl)-4-amino-3-fluorobenzamide
CID 62679268
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
3-(carbamoylamino)-N-(4-fluorophenyl)benzamide
CID 8744972
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide?
The IUPAC name of N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide (CID 39889179) is N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide is CC(=O)Nc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide?
The InChIKey is VNCUKIIWGANSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3/c1-14(27)24-19-6-3-7-20(13-19)26-22(29)16-4-2-5-18(12-16)25-21(28)15-8-10-17(23)11-9-15/h2-13H,1H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide?
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide has a molecular weight of 391.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide is sourced from PubChem (CID 39889179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).