N-(2,5-difluorophenyl)-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide

C25H19F2N3O4 — CID 57163180

IUPACN-(2,5-difluorophenyl)-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide
SMILESCC(C(=O)Nc1cc(F)ccc1F)N(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C25H19F2N3O4/c1-15(23(32)28-21-13-16(26)11-12-20(21)27)30(17-7-3-2-4-8-17)22(31)14-29-24(33)18-9-5-6-10-19(18)25(29)34/h2-13,15H,14H2,1H3,(H,28,32)
InChIKeyPNOWLXMXDOCDFE-UHFFFAOYSA-N
MW463.44 g/mol
LogP3.62
Rot. Bonds6

About N-(2,5-difluorophenyl)-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide

N-(2,5-difluorophenyl)-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide (PubChem CID 57163180) has the molecular formula C25H19F2N3O4 and a molecular weight of 463.44 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide
PubChem CID57163180
Molecular FormulaC25H19F2N3O4
Molecular Weight463.44 g/mol
Exact Mass463.13
IUPAC NameN-(2,5-difluorophenyl)-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide
SMILESCC(C(=O)Nc1cc(F)ccc1F)N(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C25H19F2N3O4/c1-15(23(32)28-21-13-16(26)11-12-20(21)27)30(17-7-3-2-4-8-17)22(31)14-29-24(33)18-9-5-6-10-19(18)25(29)34/h2-13,15H,14H2,1H3,(H,28,32)
InChIKeyPNOWLXMXDOCDFE-UHFFFAOYSA-N
XLogP3.62
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide
CID 57298805
2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)-N-(4-methoxyphenyl)propanamide
CID 57291085
(2R)-N-(2,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide
CID 2711432
N-(2,5-difluorophenyl)-2,2-diphenylacetamide
CID 7770336
N-(2,5-difluorophenyl)-2-(4-methyl-1,3-dioxo-4H-isoquinolin-2-yl)acetamide
CID 167933912
[2-(2,5-difluoroanilino)-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2596801
2-(1,3-dioxoisoindol-2-yl)-N-(5-fluoro-2-methoxyphenyl)acetamide
CID 110776571
3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190371
[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate
CID 8987469
N-(2,5-difluorophenyl)-2-(2-fluorophenoxy)propanamide
CID 86909512
N-(2,5-difluorophenyl)-N'-(1-phenylethyl)oxamide
CID 44998519
2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 26292160

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide (CID 57163180) is N-(2,5-difluorophenyl)-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide is CC(C(=O)Nc1cc(F)ccc1F)N(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide?
The InChIKey is PNOWLXMXDOCDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N3O4/c1-15(23(32)28-21-13-16(26)11-12-20(21)27)30(17-7-3-2-4-8-17)22(31)14-29-24(33)18-9-5-6-10-19(18)25(29)34/h2-13,15H,14H2,1H3,(H,28,32).
What are the key properties of N-(2,5-difluorophenyl)-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide?
N-(2,5-difluorophenyl)-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide has a molecular weight of 463.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(N-[2-(1,3-dioxoisoindol-2-yl)acetyl]anilino)propanamide is sourced from PubChem (CID 57163180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).