N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3,5-dimethoxybenzamide

C27H24F2N2O5 — CID 2299545

IUPACN-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C27H24F2N2O5/c1-35-19-13-17(14-20(16-19)36-2)25(32)30(24-10-9-18(28)15-23(24)29)11-5-6-12-31-26(33)21-7-3-4-8-22(21)27(31)34/h3-4,7-10,13-16H,5-6,11-12H2,1-2H3
InChIKeyOCUHFLCPQSCRPV-UHFFFAOYSA-N
MW494.49 g/mol
LogP4.71
Rot. Bonds9

About N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3,5-dimethoxybenzamide

N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3,5-dimethoxybenzamide (PubChem CID 2299545) has the molecular formula C27H24F2N2O5 and a molecular weight of 494.49 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3,5-dimethoxybenzamide
PubChem CID2299545
Molecular FormulaC27H24F2N2O5
Molecular Weight494.49 g/mol
Exact Mass494.17
IUPAC NameN-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C27H24F2N2O5/c1-35-19-13-17(14-20(16-19)36-2)25(32)30(24-10-9-18(28)15-23(24)29)11-5-6-12-31-26(33)21-7-3-4-8-22(21)27(31)34/h3-4,7-10,13-16H,5-6,11-12H2,1-2H3
InChIKeyOCUHFLCPQSCRPV-UHFFFAOYSA-N
XLogP4.71
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.49
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3,5-dimethoxybenzamide (CID 2299545) is N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c2ccc(F)cc2F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3,5-dimethoxybenzamide?
The InChIKey is OCUHFLCPQSCRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N2O5/c1-35-19-13-17(14-20(16-19)36-2)25(32)30(24-10-9-18(28)15-23(24)29)11-5-6-12-31-26(33)21-7-3-4-8-22(21)27(31)34/h3-4,7-10,13-16H,5-6,11-12H2,1-2H3.
What are the key properties of N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3,5-dimethoxybenzamide?
N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3,5-dimethoxybenzamide has a molecular weight of 494.49 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 2299545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).