N'-[acetyl-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]amino]-N-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]acetohydrazide

C28H25F2N5O4 — CID 70352039

IUPACN'-[acetyl-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]amino]-N-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]acetohydrazide
SMILESCC(=O)N(NN(C(C)=O)n1c(C)ccc1C(=O)c1ccccc1F)n1c(C)ccc1C(=O)c1ccccc1F
InChIInChI=1S/C28H25F2N5O4/c1-17-13-15-25(27(38)21-9-5-7-11-23(21)29)32(17)34(19(3)36)31-35(20(4)37)33-18(2)14-16-26(33)28(39)22-10-6-8-12-24(22)30/h5-16,31H,1-4H3
InChIKeyHLWTUXBTJCTKNM-UHFFFAOYSA-N
MW533.54 g/mol
LogP3.74
Rot. Bonds8

About N'-[acetyl-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]amino]-N-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]acetohydrazide

N'-[acetyl-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]amino]-N-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]acetohydrazide (PubChem CID 70352039) has the molecular formula C28H25F2N5O4 and a molecular weight of 533.54 g/mol. Its IUPAC name is N'-[acetyl-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]amino]-N-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]acetohydrazide.

Molecular Properties

Compound NameN'-[acetyl-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]amino]-N-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]acetohydrazide
PubChem CID70352039
Molecular FormulaC28H25F2N5O4
Molecular Weight533.54 g/mol
Exact Mass533.19
IUPAC NameN'-[acetyl-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]amino]-N-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]acetohydrazide
SMILESCC(=O)N(NN(C(C)=O)n1c(C)ccc1C(=O)c1ccccc1F)n1c(C)ccc1C(=O)c1ccccc1F
InChIInChI=1S/C28H25F2N5O4/c1-17-13-15-25(27(38)21-9-5-7-11-23(21)29)32(17)34(19(3)36)31-35(20(4)37)33-18(2)14-16-26(33)28(39)22-10-6-8-12-24(22)30/h5-16,31H,1-4H3
InChIKeyHLWTUXBTJCTKNM-UHFFFAOYSA-N
XLogP3.74
TPSA96.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.54
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-fluorobenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 84728759
N-(2,5-dimethylpyrrol-1-yl)-2-fluorobenzamide
CID 43822402
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
[2-(dimethylamino)phenyl]-(2-fluorophenyl)methanone
CID 71536300
methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-methylamino]benzoate
CID 43423135
5-(2-fluorobenzoyl)-1-methyl-N-pyridin-3-ylpyrrole-2-carboxamide
CID 164595730
2-fluoro-N-methylbenzamide;hydrate
CID 141303255
(2-fluorophenyl)-(2-hydroxypyrazol-3-yl)methanone
CID 101167756
N-[4-(2-fluorobenzoyl)phenyl]acetamide
CID 43337973
1-(2-fluorophenyl)butane-1,3-dione
CID 15169784
(4-fluoro-2,6-dimethylphenyl)-(2-fluorophenyl)methanone
CID 106876756
(2-ethylphenyl)-(2-fluorophenyl)methanone
CID 83393999

Frequently Asked Questions

What is the IUPAC name of N'-[acetyl-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]amino]-N-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]acetohydrazide?
The IUPAC name of N'-[acetyl-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]amino]-N-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]acetohydrazide (CID 70352039) is N'-[acetyl-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]amino]-N-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]acetohydrazide.
What is the SMILES notation for N'-[acetyl-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]amino]-N-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]acetohydrazide?
The canonical SMILES for N'-[acetyl-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]amino]-N-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]acetohydrazide is CC(=O)N(NN(C(C)=O)n1c(C)ccc1C(=O)c1ccccc1F)n1c(C)ccc1C(=O)c1ccccc1F.
What is the InChIKey of N'-[acetyl-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]amino]-N-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]acetohydrazide?
The InChIKey is HLWTUXBTJCTKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2N5O4/c1-17-13-15-25(27(38)21-9-5-7-11-23(21)29)32(17)34(19(3)36)31-35(20(4)37)33-18(2)14-16-26(33)28(39)22-10-6-8-12-24(22)30/h5-16,31H,1-4H3.
What are the key properties of N'-[acetyl-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]amino]-N-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]acetohydrazide?
N'-[acetyl-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]amino]-N-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]acetohydrazide has a molecular weight of 533.54 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[acetyl-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]amino]-N-[2-(2-fluorobenzoyl)-5-methylpyrrol-1-yl]acetohydrazide is sourced from PubChem (CID 70352039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).