N-[3-[3-chloro-4-(1,3-dioxoisoindol-2-yl)anilino]-3-oxopropyl]-2,4-difluorobenzamide

C24H16ClF2N3O4 — CID 55726166

IUPACN-[3-[3-chloro-4-(1,3-dioxoisoindol-2-yl)anilino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
InChIInChI=1S/C24H16ClF2N3O4/c25-18-12-14(6-8-20(18)30-23(33)15-3-1-2-4-16(15)24(30)34)29-21(31)9-10-28-22(32)17-7-5-13(26)11-19(17)27/h1-8,11-12H,9-10H2,(H,28,32)(H,29,31)
InChIKeyXFNDTSYXCVSSGG-UHFFFAOYSA-N
MW483.86 g/mol
LogP4.18
Rot. Bonds6

About N-[3-[3-chloro-4-(1,3-dioxoisoindol-2-yl)anilino]-3-oxopropyl]-2,4-difluorobenzamide

N-[3-[3-chloro-4-(1,3-dioxoisoindol-2-yl)anilino]-3-oxopropyl]-2,4-difluorobenzamide (PubChem CID 55726166) has the molecular formula C24H16ClF2N3O4 and a molecular weight of 483.86 g/mol. Its IUPAC name is N-[3-[3-chloro-4-(1,3-dioxoisoindol-2-yl)anilino]-3-oxopropyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-[3-chloro-4-(1,3-dioxoisoindol-2-yl)anilino]-3-oxopropyl]-2,4-difluorobenzamide
PubChem CID55726166
Molecular FormulaC24H16ClF2N3O4
Molecular Weight483.86 g/mol
Exact Mass483.08
IUPAC NameN-[3-[3-chloro-4-(1,3-dioxoisoindol-2-yl)anilino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
InChIInChI=1S/C24H16ClF2N3O4/c25-18-12-14(6-8-20(18)30-23(33)15-3-1-2-4-16(15)24(30)34)29-21(31)9-10-28-22(32)17-7-5-13(26)11-19(17)27/h1-8,11-12H,9-10H2,(H,28,32)(H,29,31)
InChIKeyXFNDTSYXCVSSGG-UHFFFAOYSA-N
XLogP4.18
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.86
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-chloro-4-(1,3-dioxoisoindol-2-yl)anilino]-3-oxopropyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-[3-chloro-4-(1,3-dioxoisoindol-2-yl)anilino]-3-oxopropyl]-2,4-difluorobenzamide (CID 55726166) is N-[3-[3-chloro-4-(1,3-dioxoisoindol-2-yl)anilino]-3-oxopropyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-[3-chloro-4-(1,3-dioxoisoindol-2-yl)anilino]-3-oxopropyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-[3-chloro-4-(1,3-dioxoisoindol-2-yl)anilino]-3-oxopropyl]-2,4-difluorobenzamide is O=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1.
What is the InChIKey of N-[3-[3-chloro-4-(1,3-dioxoisoindol-2-yl)anilino]-3-oxopropyl]-2,4-difluorobenzamide?
The InChIKey is XFNDTSYXCVSSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF2N3O4/c25-18-12-14(6-8-20(18)30-23(33)15-3-1-2-4-16(15)24(30)34)29-21(31)9-10-28-22(32)17-7-5-13(26)11-19(17)27/h1-8,11-12H,9-10H2,(H,28,32)(H,29,31).
What are the key properties of N-[3-[3-chloro-4-(1,3-dioxoisoindol-2-yl)anilino]-3-oxopropyl]-2,4-difluorobenzamide?
N-[3-[3-chloro-4-(1,3-dioxoisoindol-2-yl)anilino]-3-oxopropyl]-2,4-difluorobenzamide has a molecular weight of 483.86 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-chloro-4-(1,3-dioxoisoindol-2-yl)anilino]-3-oxopropyl]-2,4-difluorobenzamide is sourced from PubChem (CID 55726166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).