2-acetamido-N-(4-aminophenyl)benzamide;N-(4-aminophenyl)-2,4-difluorobenzamide

C28H25F2N5O3 — CID 70188641

IUPAC2-acetamido-N-(4-aminophenyl)benzamide;N-(4-aminophenyl)-2,4-difluorobenzamide
SMILESCC(=O)Nc1ccccc1C(=O)Nc1ccc(N)cc1.Nc1ccc(NC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C15H15N3O2.C13H10F2N2O/c1-10(19)17-14-5-3-2-4-13(14)15(20)18-12-8-6-11(16)7-9-12;14-8-1-6-11(12(15)7-8)13(18)17-10-4-2-9(16)3-5-10/h2-9H,16H2,1H3,(H,17,19)(H,18,20);1-7H,16H2,(H,17,18)
InChIKeyOGYFWBVRMNYPJG-UHFFFAOYSA-N
MW517.54 g/mol
LogP5.28
Rot. Bonds5

About 2-acetamido-N-(4-aminophenyl)benzamide;N-(4-aminophenyl)-2,4-difluorobenzamide

2-acetamido-N-(4-aminophenyl)benzamide;N-(4-aminophenyl)-2,4-difluorobenzamide (PubChem CID 70188641) has the molecular formula C28H25F2N5O3 and a molecular weight of 517.54 g/mol. Its IUPAC name is 2-acetamido-N-(4-aminophenyl)benzamide;N-(4-aminophenyl)-2,4-difluorobenzamide.

Molecular Properties

Compound Name2-acetamido-N-(4-aminophenyl)benzamide;N-(4-aminophenyl)-2,4-difluorobenzamide
PubChem CID70188641
Molecular FormulaC28H25F2N5O3
Molecular Weight517.54 g/mol
Exact Mass517.19
IUPAC Name2-acetamido-N-(4-aminophenyl)benzamide;N-(4-aminophenyl)-2,4-difluorobenzamide
SMILESCC(=O)Nc1ccccc1C(=O)Nc1ccc(N)cc1.Nc1ccc(NC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C15H15N3O2.C13H10F2N2O/c1-10(19)17-14-5-3-2-4-13(14)15(20)18-12-8-6-11(16)7-9-12;14-8-1-6-11(12(15)7-8)13(18)17-10-4-2-9(16)3-5-10/h2-9H,16H2,1H3,(H,17,19)(H,18,20);1-7H,16H2,(H,17,18)
InChIKeyOGYFWBVRMNYPJG-UHFFFAOYSA-N
XLogP5.28
TPSA139.34 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.54
LogP ≤ 55.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-N-(2-aminophenyl)-2-fluorobenzamide
CID 73055344
2-amino-4-fluoro-N-(4-fluorophenyl)benzamide
CID 62059687
N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide
CID 33307531
2-acetamido-N-(3,5-dimethylphenyl)benzamide
CID 3348341
2,4-difluoro-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24697449
4-[(2-acetamidobenzoyl)amino]benzoic acid
CID 3729274
2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 982173
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
N-[2-(1-aminoethyl)phenyl]-2,4-difluorobenzamide
CID 16785051
methyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate
CID 63109743
4-amino-2-chloro-N-(4-fluorophenyl)benzamide
CID 16787993
N-(5-acetamido-2-ethylphenyl)-2,4-difluorobenzamide
CID 108797375

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-aminophenyl)benzamide;N-(4-aminophenyl)-2,4-difluorobenzamide?
The IUPAC name of 2-acetamido-N-(4-aminophenyl)benzamide;N-(4-aminophenyl)-2,4-difluorobenzamide (CID 70188641) is 2-acetamido-N-(4-aminophenyl)benzamide;N-(4-aminophenyl)-2,4-difluorobenzamide.
What is the SMILES notation for 2-acetamido-N-(4-aminophenyl)benzamide;N-(4-aminophenyl)-2,4-difluorobenzamide?
The canonical SMILES for 2-acetamido-N-(4-aminophenyl)benzamide;N-(4-aminophenyl)-2,4-difluorobenzamide is CC(=O)Nc1ccccc1C(=O)Nc1ccc(N)cc1.Nc1ccc(NC(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of 2-acetamido-N-(4-aminophenyl)benzamide;N-(4-aminophenyl)-2,4-difluorobenzamide?
The InChIKey is OGYFWBVRMNYPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2.C13H10F2N2O/c1-10(19)17-14-5-3-2-4-13(14)15(20)18-12-8-6-11(16)7-9-12;14-8-1-6-11(12(15)7-8)13(18)17-10-4-2-9(16)3-5-10/h2-9H,16H2,1H3,(H,17,19)(H,18,20);1-7H,16H2,(H,17,18).
What are the key properties of 2-acetamido-N-(4-aminophenyl)benzamide;N-(4-aminophenyl)-2,4-difluorobenzamide?
2-acetamido-N-(4-aminophenyl)benzamide;N-(4-aminophenyl)-2,4-difluorobenzamide has a molecular weight of 517.54 g/mol, XLogP of 5.28, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-aminophenyl)benzamide;N-(4-aminophenyl)-2,4-difluorobenzamide is sourced from PubChem (CID 70188641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).