4-[(3,5-difluorobenzoyl)amino]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-hydroxybenzamide

C21H19F2N3O5 — CID 56562302

IUPAC4-[(3,5-difluorobenzoyl)amino]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(C(=O)NCCCN2C(=O)CCC2=O)c(O)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C21H19F2N3O5/c22-13-8-12(9-14(23)10-13)20(30)25-15-2-3-16(17(27)11-15)21(31)24-6-1-7-26-18(28)4-5-19(26)29/h2-3,8-11,27H,1,4-7H2,(H,24,31)(H,25,30)
InChIKeyWOOLGJUYVOCQEI-UHFFFAOYSA-N
MW431.40 g/mol
LogP2.19
Rot. Bonds7

About 4-[(3,5-difluorobenzoyl)amino]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-hydroxybenzamide

4-[(3,5-difluorobenzoyl)amino]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-hydroxybenzamide (PubChem CID 56562302) has the molecular formula C21H19F2N3O5 and a molecular weight of 431.40 g/mol. Its IUPAC name is 4-[(3,5-difluorobenzoyl)amino]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-[(3,5-difluorobenzoyl)amino]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-hydroxybenzamide
PubChem CID56562302
Molecular FormulaC21H19F2N3O5
Molecular Weight431.40 g/mol
Exact Mass431.13
IUPAC Name4-[(3,5-difluorobenzoyl)amino]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(C(=O)NCCCN2C(=O)CCC2=O)c(O)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C21H19F2N3O5/c22-13-8-12(9-14(23)10-13)20(30)25-15-2-3-16(17(27)11-15)21(31)24-6-1-7-26-18(28)4-5-19(26)29/h2-3,8-11,27H,1,4-7H2,(H,24,31)(H,25,30)
InChIKeyWOOLGJUYVOCQEI-UHFFFAOYSA-N
XLogP2.19
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 52.19
H-Bond Donors ≤ 53
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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Related Compounds

4-[(3,5-difluorobenzoyl)amino]-N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]-2-hydroxybenzamide
CID 100702200
4-[(3,5-difluorobenzoyl)amino]-2-hydroxy-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)benzamide
CID 60572609
N-(4-amino-3,5-dichlorophenyl)-4-[(3,5-difluorobenzoyl)amino]-2-hydroxybenzamide
CID 60572464
3,5-difluoro-N-[3-hydroxy-4-(4-phenylpiperidine-1-carbonyl)phenyl]benzamide
CID 51125015
4-[(3,5-difluorobenzoyl)amino]-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-hydroxybenzamide
CID 56576043
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,6-difluorobenzamide
CID 16926960
4-[(3,5-difluorobenzoyl)amino]-N-[1-(furan-2-yl)ethyl]-2-hydroxybenzamide
CID 86832004
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 56558972
11-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)undecanamide
CID 17035124
N-(4-aminobutyl)-4-fluoro-2-hydroxybenzamide
CID 107012875
4-[(4-fluoro-2-hydroxybenzoyl)amino]butanoic acid
CID 107013327
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
CID 3602667

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorobenzoyl)amino]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-hydroxybenzamide?
The IUPAC name of 4-[(3,5-difluorobenzoyl)amino]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-hydroxybenzamide (CID 56562302) is 4-[(3,5-difluorobenzoyl)amino]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-hydroxybenzamide.
What is the SMILES notation for 4-[(3,5-difluorobenzoyl)amino]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-hydroxybenzamide?
The canonical SMILES for 4-[(3,5-difluorobenzoyl)amino]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-hydroxybenzamide is O=C(Nc1ccc(C(=O)NCCCN2C(=O)CCC2=O)c(O)c1)c1cc(F)cc(F)c1.
What is the InChIKey of 4-[(3,5-difluorobenzoyl)amino]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-hydroxybenzamide?
The InChIKey is WOOLGJUYVOCQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O5/c22-13-8-12(9-14(23)10-13)20(30)25-15-2-3-16(17(27)11-15)21(31)24-6-1-7-26-18(28)4-5-19(26)29/h2-3,8-11,27H,1,4-7H2,(H,24,31)(H,25,30).
What are the key properties of 4-[(3,5-difluorobenzoyl)amino]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-hydroxybenzamide?
4-[(3,5-difluorobenzoyl)amino]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-hydroxybenzamide has a molecular weight of 431.40 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorobenzoyl)amino]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-hydroxybenzamide is sourced from PubChem (CID 56562302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).