N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide

C17H15FN4O5 — CID 4858823

IUPACN-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
SMILESO=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1F
InChIInChI=1S/C17H15FN4O5/c18-14-4-2-1-3-13(14)17(25)21-20-15(23)9-10-19-16(24)11-5-7-12(8-6-11)22(26)27/h1-8H,9-10H2,(H,19,24)(H,20,23)(H,21,25)
InChIKeyXUBJCFKPUQQNHF-UHFFFAOYSA-N
MW374.33 g/mol
LogP1.32
Rot. Bonds6

About N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide

N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide (PubChem CID 4858823) has the molecular formula C17H15FN4O5 and a molecular weight of 374.33 g/mol. Its IUPAC name is N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
PubChem CID4858823
Molecular FormulaC17H15FN4O5
Molecular Weight374.33 g/mol
Exact Mass374.10
IUPAC NameN-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
SMILESO=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1F
InChIInChI=1S/C17H15FN4O5/c18-14-4-2-1-3-13(14)17(25)21-20-15(23)9-10-19-16(24)11-5-7-12(8-6-11)22(26)27/h1-8H,9-10H2,(H,19,24)(H,20,23)(H,21,25)
InChIKeyXUBJCFKPUQQNHF-UHFFFAOYSA-N
XLogP1.32
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 3373596
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CID 9943996
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CID 4562506
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CID 2134211
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CID 2666713
CID 2666713
CID 230117
CID 230117
CID 913108
CID 913108
CID 3401606
CID 3401606
CID 306568
CID 306568
CID 14783870
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CID 8713414
CID 8713414
CID 16410443
CID 16410443

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide?
The IUPAC name of N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide (CID 4858823) is N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide.
What is the SMILES notation for N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide?
The canonical SMILES for N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide is O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1F.
What is the InChIKey of N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide?
The InChIKey is XUBJCFKPUQQNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O5/c18-14-4-2-1-3-13(14)17(25)21-20-15(23)9-10-19-16(24)11-5-7-12(8-6-11)22(26)27/h1-8H,9-10H2,(H,19,24)(H,20,23)(H,21,25).
What are the key properties of N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide?
N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide has a molecular weight of 374.33 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide is sourced from PubChem (CID 4858823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).