N-[2-(3-benzamidoanilino)-2-oxoethyl]-2,4-difluorobenzamide

C22H17F2N3O3 — CID 55869846

IUPACN-[2-(3-benzamidoanilino)-2-oxoethyl]-2,4-difluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H17F2N3O3/c23-15-9-10-18(19(24)11-15)22(30)25-13-20(28)26-16-7-4-8-17(12-16)27-21(29)14-5-2-1-3-6-14/h1-12H,13H2,(H,25,30)(H,26,28)(H,27,29)
InChIKeyCWVCUJFXORDVEL-UHFFFAOYSA-N
MW409.39 g/mol
LogP3.59
Rot. Bonds6

About N-[2-(3-benzamidoanilino)-2-oxoethyl]-2,4-difluorobenzamide

N-[2-(3-benzamidoanilino)-2-oxoethyl]-2,4-difluorobenzamide (PubChem CID 55869846) has the molecular formula C22H17F2N3O3 and a molecular weight of 409.39 g/mol. Its IUPAC name is N-[2-(3-benzamidoanilino)-2-oxoethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(3-benzamidoanilino)-2-oxoethyl]-2,4-difluorobenzamide
PubChem CID55869846
Molecular FormulaC22H17F2N3O3
Molecular Weight409.39 g/mol
Exact Mass409.12
IUPAC NameN-[2-(3-benzamidoanilino)-2-oxoethyl]-2,4-difluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H17F2N3O3/c23-15-9-10-18(19(24)11-15)22(30)25-13-20(28)26-16-7-4-8-17(12-16)27-21(29)14-5-2-1-3-6-14/h1-12H,13H2,(H,25,30)(H,26,28)(H,27,29)
InChIKeyCWVCUJFXORDVEL-UHFFFAOYSA-N
XLogP3.59
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 55529533
N-[2-[(2-benzamidoacetyl)amino]ethyl]-2,4-difluorobenzamide
CID 108571301
methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]benzoate
CID 30493006
N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide
CID 38107976
methyl 3-[(2,4-difluorobenzoyl)amino]benzoate
CID 40652964
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 26661170
N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 47035362
N-[2-(3-fluoroanilino)-2-oxoethyl]naphthalene-1-carboxamide
CID 42765993
2-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 26578993
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide
CID 26712476
N-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518611

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-benzamidoanilino)-2-oxoethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-(3-benzamidoanilino)-2-oxoethyl]-2,4-difluorobenzamide (CID 55869846) is N-[2-(3-benzamidoanilino)-2-oxoethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-(3-benzamidoanilino)-2-oxoethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-(3-benzamidoanilino)-2-oxoethyl]-2,4-difluorobenzamide is O=C(CNC(=O)c1ccc(F)cc1F)Nc1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[2-(3-benzamidoanilino)-2-oxoethyl]-2,4-difluorobenzamide?
The InChIKey is CWVCUJFXORDVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O3/c23-15-9-10-18(19(24)11-15)22(30)25-13-20(28)26-16-7-4-8-17(12-16)27-21(29)14-5-2-1-3-6-14/h1-12H,13H2,(H,25,30)(H,26,28)(H,27,29).
What are the key properties of N-[2-(3-benzamidoanilino)-2-oxoethyl]-2,4-difluorobenzamide?
N-[2-(3-benzamidoanilino)-2-oxoethyl]-2,4-difluorobenzamide has a molecular weight of 409.39 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-benzamidoanilino)-2-oxoethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 55869846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).