N-[3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide

C16H16FN3O4 — CID 26656678

IUPACN-[3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)NNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C16H16FN3O4/c17-12-5-3-11(4-6-12)10-15(22)20-19-14(21)7-8-18-16(23)13-2-1-9-24-13/h1-6,9H,7-8,10H2,(H,18,23)(H,19,21)(H,20,22)
InChIKeyCMKDGTSQMLKDGL-UHFFFAOYSA-N
MW333.32 g/mol
LogP0.93
Rot. Bonds6

About N-[3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide

N-[3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide (PubChem CID 26656678) has the molecular formula C16H16FN3O4 and a molecular weight of 333.32 g/mol. Its IUPAC name is N-[3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide
PubChem CID26656678
Molecular FormulaC16H16FN3O4
Molecular Weight333.32 g/mol
Exact Mass333.11
IUPAC NameN-[3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)NNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C16H16FN3O4/c17-12-5-3-11(4-6-12)10-15(22)20-19-14(21)7-8-18-16(23)13-2-1-9-24-13/h1-6,9H,7-8,10H2,(H,18,23)(H,19,21)(H,20,22)
InChIKeyCMKDGTSQMLKDGL-UHFFFAOYSA-N
XLogP0.93
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 31727361
N-[3-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 42385642
N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 4805945
N-[3-[2-(1H-indole-3-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 30455818
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]ethyl]furan-2-carboxamide
CID 34445616
N-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-carboxamide
CID 110866126
N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 17403858
4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9477234
N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide
CID 62665546
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 110731470
N-[3-oxo-3-(1H-pyrrol-3-ylmethylamino)propyl]furan-2-carboxamide
CID 106385845

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide (CID 26656678) is N-[3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccco1)NNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is CMKDGTSQMLKDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4/c17-12-5-3-11(4-6-12)10-15(22)20-19-14(21)7-8-18-16(23)13-2-1-9-24-13/h1-6,9H,7-8,10H2,(H,18,23)(H,19,21)(H,20,22).
What are the key properties of N-[3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide?
N-[3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 333.32 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 26656678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).