N-[5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-2-methoxyphenyl]-3-fluorobenzamide

C26H22FN3O5 — CID 55725621

IUPACN-[5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-2-methoxyphenyl]-3-fluorobenzamide
SMILESCOc1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C26H22FN3O5/c1-35-22-12-11-18(15-21(22)29-24(32)16-6-4-7-17(27)14-16)28-23(31)10-5-13-30-25(33)19-8-2-3-9-20(19)26(30)34/h2-4,6-9,11-12,14-15H,5,10,13H2,1H3,(H,28,31)(H,29,32)
InChIKeyJJAJXDASVANTBL-UHFFFAOYSA-N
MW475.48 g/mol
LogP4.10
Rot. Bonds8

About N-[5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-2-methoxyphenyl]-3-fluorobenzamide

N-[5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-2-methoxyphenyl]-3-fluorobenzamide (PubChem CID 55725621) has the molecular formula C26H22FN3O5 and a molecular weight of 475.48 g/mol. Its IUPAC name is N-[5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-2-methoxyphenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-2-methoxyphenyl]-3-fluorobenzamide
PubChem CID55725621
Molecular FormulaC26H22FN3O5
Molecular Weight475.48 g/mol
Exact Mass475.15
IUPAC NameN-[5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-2-methoxyphenyl]-3-fluorobenzamide
SMILESCOc1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C26H22FN3O5/c1-35-22-12-11-18(15-21(22)29-24(32)16-6-4-7-17(27)14-16)28-23(31)10-5-13-30-25(33)19-8-2-3-9-20(19)26(30)34/h2-4,6-9,11-12,14-15H,5,10,13H2,1H3,(H,28,31)(H,29,32)
InChIKeyJJAJXDASVANTBL-UHFFFAOYSA-N
XLogP4.10
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide
CID 120559883
3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide
CID 55725735
3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 46487241
6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide
CID 5023404
N-[5-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide
CID 55725477
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3-fluorobenzamide
CID 108542677
2-fluoro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 46487214
3-fluoro-N-[2-methoxy-5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]benzamide
CID 55725734
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]butanamide
CID 34168388
N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 34169021
3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxy-3-methylphenyl)propanamide
CID 110776420
3-fluoro-N-[2-methoxy-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]phenyl]benzamide
CID 46477710

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-2-methoxyphenyl]-3-fluorobenzamide?
The IUPAC name of N-[5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-2-methoxyphenyl]-3-fluorobenzamide (CID 55725621) is N-[5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-2-methoxyphenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-2-methoxyphenyl]-3-fluorobenzamide?
The canonical SMILES for N-[5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-2-methoxyphenyl]-3-fluorobenzamide is COc1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1NC(=O)c1cccc(F)c1.
What is the InChIKey of N-[5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-2-methoxyphenyl]-3-fluorobenzamide?
The InChIKey is JJAJXDASVANTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O5/c1-35-22-12-11-18(15-21(22)29-24(32)16-6-4-7-17(27)14-16)28-23(31)10-5-13-30-25(33)19-8-2-3-9-20(19)26(30)34/h2-4,6-9,11-12,14-15H,5,10,13H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-[5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-2-methoxyphenyl]-3-fluorobenzamide?
N-[5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-2-methoxyphenyl]-3-fluorobenzamide has a molecular weight of 475.48 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-2-methoxyphenyl]-3-fluorobenzamide is sourced from PubChem (CID 55725621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).