N-[2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]phenyl]benzamide

C21H17F2N3O2 — CID 36860099

IUPACN-[2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]phenyl]benzamide
SMILESO=C(CNc1ccccc1NC(=O)c1ccccc1)Nc1cc(F)ccc1F
InChIInChI=1S/C21H17F2N3O2/c22-15-10-11-16(23)19(12-15)25-20(27)13-24-17-8-4-5-9-18(17)26-21(28)14-6-2-1-3-7-14/h1-12,24H,13H2,(H,25,27)(H,26,28)
InChIKeyZZSPSZGANJQKFW-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.27
Rot. Bonds6

About N-[2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]phenyl]benzamide

N-[2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]phenyl]benzamide (PubChem CID 36860099) has the molecular formula C21H17F2N3O2 and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]phenyl]benzamide
PubChem CID36860099
Molecular FormulaC21H17F2N3O2
Molecular Weight381.38 g/mol
Exact Mass381.13
IUPAC NameN-[2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]phenyl]benzamide
SMILESO=C(CNc1ccccc1NC(=O)c1ccccc1)Nc1cc(F)ccc1F
InChIInChI=1S/C21H17F2N3O2/c22-15-10-11-16(23)19(12-15)25-20(27)13-24-17-8-4-5-9-18(17)26-21(28)14-6-2-1-3-7-14/h1-12,24H,13H2,(H,25,27)(H,26,28)
InChIKeyZZSPSZGANJQKFW-UHFFFAOYSA-N
XLogP4.27
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 38253484
N-(2,5-difluorophenyl)-4-phenylbenzamide
CID 7958887
methyl 2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 37472105
N-[4-(2,5-difluoroanilino)-4-oxobutyl]benzamide
CID 39753880
2-(2,5-difluoroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 42069511
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
2-(5-chloro-2-methylanilino)-N-(2,5-difluorophenyl)acetamide
CID 37479978
N-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide
CID 34082938
N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]benzamide
CID 9211846
N-[4-fluoro-2-(methylamino)phenyl]benzamide
CID 174747297
N-cyclopentyl-2-[[2-(2,5-difluoroanilino)acetyl]amino]benzamide
CID 33162764
N-(2,5-difluorophenyl)-4-(ethylamino)benzamide
CID 62172591

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]phenyl]benzamide?
The IUPAC name of N-[2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]phenyl]benzamide (CID 36860099) is N-[2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]phenyl]benzamide?
The canonical SMILES for N-[2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]phenyl]benzamide is O=C(CNc1ccccc1NC(=O)c1ccccc1)Nc1cc(F)ccc1F.
What is the InChIKey of N-[2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]phenyl]benzamide?
The InChIKey is ZZSPSZGANJQKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O2/c22-15-10-11-16(23)19(12-15)25-20(27)13-24-17-8-4-5-9-18(17)26-21(28)14-6-2-1-3-7-14/h1-12,24H,13H2,(H,25,27)(H,26,28).
What are the key properties of N-[2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]phenyl]benzamide?
N-[2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]phenyl]benzamide has a molecular weight of 381.38 g/mol, XLogP of 4.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]phenyl]benzamide is sourced from PubChem (CID 36860099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).