N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-fluorobenzamide

C25H20ClFN2O3 — CID 2296999

IUPACN-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-fluorobenzamide
SMILESO=C1c2ccccc2C(=O)N1CCCCN(C(=O)c1ccccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C25H20ClFN2O3/c26-17-11-13-18(14-12-17)28(25(32)21-9-3-4-10-22(21)27)15-5-6-16-29-23(30)19-7-1-2-8-20(19)24(29)31/h1-4,7-14H,5-6,15-16H2
InChIKeyFXRANKJXBOIZAW-UHFFFAOYSA-N
MW450.90 g/mol
LogP5.20
Rot. Bonds7

About N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-fluorobenzamide

N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-fluorobenzamide (PubChem CID 2296999) has the molecular formula C25H20ClFN2O3 and a molecular weight of 450.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-fluorobenzamide
PubChem CID2296999
Molecular FormulaC25H20ClFN2O3
Molecular Weight450.90 g/mol
Exact Mass450.11
IUPAC NameN-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-fluorobenzamide
SMILESO=C1c2ccccc2C(=O)N1CCCCN(C(=O)c1ccccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C25H20ClFN2O3/c26-17-11-13-18(14-12-17)28(25(32)21-9-3-4-10-22(21)27)15-5-6-16-29-23(30)19-7-1-2-8-20(19)24(29)31/h1-4,7-14H,5-6,15-16H2
InChIKeyFXRANKJXBOIZAW-UHFFFAOYSA-N
XLogP5.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.90
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-methoxybenzamide
CID 2582016
N-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide
CID 4262657
2-chloro-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(3-fluorophenyl)benzamide
CID 2342263
2-chloro-N-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-N-(4-phenoxyphenyl)benzamide
CID 46496504
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide
CID 4013315
N-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide
CID 28769276
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
O-[2-(1,3-dioxoisoindol-2-yl)ethyl] N-(4-chlorophenyl)-N-(2,4-difluorobenzoyl)carbamothioate
CID 42631409
3,5-dichloro-N-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-N-(4-phenoxyphenyl)benzamide
CID 4017285
2-[4-(4-chlorophenoxy)butyl]isoindole-1,3-dione
CID 2296874
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-ethoxyphenyl)-2-fluorobenzamide
CID 4282369
2-[9-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]nonyl]isoindole-1,3-dione
CID 127053246

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-fluorobenzamide?
The IUPAC name of N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-fluorobenzamide (CID 2296999) is N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-fluorobenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-fluorobenzamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-fluorobenzamide is O=C1c2ccccc2C(=O)N1CCCCN(C(=O)c1ccccc1F)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-fluorobenzamide?
The InChIKey is FXRANKJXBOIZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN2O3/c26-17-11-13-18(14-12-17)28(25(32)21-9-3-4-10-22(21)27)15-5-6-16-29-23(30)19-7-1-2-8-20(19)24(29)31/h1-4,7-14H,5-6,15-16H2.
What are the key properties of N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-fluorobenzamide?
N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-fluorobenzamide has a molecular weight of 450.90 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-fluorobenzamide is sourced from PubChem (CID 2296999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).