2-[4-[2-(hydrazinecarbonyl)furan-3-yl]phenoxy]-2-phenylacetamide

C19H17N3O4 — CID 68864024

IUPAC2-[4-[2-(hydrazinecarbonyl)furan-3-yl]phenoxy]-2-phenylacetamide
SMILESNNC(=O)c1occc1-c1ccc(OC(C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C19H17N3O4/c20-18(23)16(13-4-2-1-3-5-13)26-14-8-6-12(7-9-14)15-10-11-25-17(15)19(24)22-21/h1-11,16H,21H2,(H2,20,23)(H,22,24)
InChIKeyVQEMEVNOJVWKPR-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.16
Rot. Bonds6

About 2-[4-[2-(hydrazinecarbonyl)furan-3-yl]phenoxy]-2-phenylacetamide

2-[4-[2-(hydrazinecarbonyl)furan-3-yl]phenoxy]-2-phenylacetamide (PubChem CID 68864024) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-[4-[2-(hydrazinecarbonyl)furan-3-yl]phenoxy]-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-[2-(hydrazinecarbonyl)furan-3-yl]phenoxy]-2-phenylacetamide
PubChem CID68864024
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name2-[4-[2-(hydrazinecarbonyl)furan-3-yl]phenoxy]-2-phenylacetamide
SMILESNNC(=O)c1occc1-c1ccc(OC(C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C19H17N3O4/c20-18(23)16(13-4-2-1-3-5-13)26-14-8-6-12(7-9-14)15-10-11-25-17(15)19(24)22-21/h1-11,16H,21H2,(H2,20,23)(H,22,24)
InChIKeyVQEMEVNOJVWKPR-UHFFFAOYSA-N
XLogP2.16
TPSA120.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)furan-2-carbohydrazide
CID 152516490
3-(3-phenoxyphenyl)furan-2-carbohydrazide
CID 68862343
2-[(3-phenylfuran-2-carbonyl)amino]oxyacetic acid
CID 63914694
(2S)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
CID 61152901
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide
CID 142753560
(2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
CID 107832817
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-phenylfuran-2-carboxamide
CID 107847366
ethyl 2-(4-methylphenoxy)-2-phenylacetate
CID 103601098
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-phenylfuran-2-carboxamide
CID 110885536
N-(1-hydroxypentan-3-yl)-3-phenylfuran-2-carboxamide
CID 109479214
(2R)-2-(4-fluorophenoxy)-2-phenylacetic acid
CID 42252726
N-(3-hydroxypentyl)-3-phenylfuran-2-carboxamide
CID 115703850

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(hydrazinecarbonyl)furan-3-yl]phenoxy]-2-phenylacetamide?
The IUPAC name of 2-[4-[2-(hydrazinecarbonyl)furan-3-yl]phenoxy]-2-phenylacetamide (CID 68864024) is 2-[4-[2-(hydrazinecarbonyl)furan-3-yl]phenoxy]-2-phenylacetamide.
What is the SMILES notation for 2-[4-[2-(hydrazinecarbonyl)furan-3-yl]phenoxy]-2-phenylacetamide?
The canonical SMILES for 2-[4-[2-(hydrazinecarbonyl)furan-3-yl]phenoxy]-2-phenylacetamide is NNC(=O)c1occc1-c1ccc(OC(C(N)=O)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[2-(hydrazinecarbonyl)furan-3-yl]phenoxy]-2-phenylacetamide?
The InChIKey is VQEMEVNOJVWKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c20-18(23)16(13-4-2-1-3-5-13)26-14-8-6-12(7-9-14)15-10-11-25-17(15)19(24)22-21/h1-11,16H,21H2,(H2,20,23)(H,22,24).
What are the key properties of 2-[4-[2-(hydrazinecarbonyl)furan-3-yl]phenoxy]-2-phenylacetamide?
2-[4-[2-(hydrazinecarbonyl)furan-3-yl]phenoxy]-2-phenylacetamide has a molecular weight of 351.36 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(hydrazinecarbonyl)furan-3-yl]phenoxy]-2-phenylacetamide is sourced from PubChem (CID 68864024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).