3-[4-(hydrazinecarbonyl)phenyl]furan-2-carboxamide

C12H11N3O3 — CID 152505034

IUPAC3-[4-(hydrazinecarbonyl)phenyl]furan-2-carboxamide
SMILESNNC(=O)c1ccc(-c2ccoc2C(N)=O)cc1
InChIInChI=1S/C12H11N3O3/c13-11(16)10-9(5-6-18-10)7-1-3-8(4-2-7)12(17)15-14/h1-6H,14H2,(H2,13,16)(H,15,17)
InChIKeyYEGSMEKAKYJXBL-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.65
Rot. Bonds3

About 3-[4-(hydrazinecarbonyl)phenyl]furan-2-carboxamide

3-[4-(hydrazinecarbonyl)phenyl]furan-2-carboxamide (PubChem CID 152505034) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-[4-(hydrazinecarbonyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-[4-(hydrazinecarbonyl)phenyl]furan-2-carboxamide
PubChem CID152505034
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name3-[4-(hydrazinecarbonyl)phenyl]furan-2-carboxamide
SMILESNNC(=O)c1ccc(-c2ccoc2C(N)=O)cc1
InChIInChI=1S/C12H11N3O3/c13-11(16)10-9(5-6-18-10)7-1-3-8(4-2-7)12(17)15-14/h1-6H,14H2,(H2,13,16)(H,15,17)
InChIKeyYEGSMEKAKYJXBL-UHFFFAOYSA-N
XLogP0.65
TPSA111.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-pyridin-4-ylfuran-2-carboxamide
CID 68861193
3-pyridin-3-ylfuran-2-carbohydrazide
CID 70805892
2-[4-[2-(hydrazinecarbonyl)furan-3-yl]phenoxy]-2-phenylacetamide
CID 68864024
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-phenylfuran-2-carboxamide
CID 46494251
4-(2H-tetrazol-5-yl)benzohydrazide
CID 43091169
4-fluorobenzohydrazide
CID 9972
3-(furan-2-yl)furan-2-carboxamide
CID 22065330
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylfuran-2-carboxamide
CID 142753560
ethane;4-methylbenzohydrazide
CID 143952809
4-[[4-(hydrazinecarbonyl)phenyl]diazenyl]benzohydrazide
CID 88534888
(2S)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
CID 61152901

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydrazinecarbonyl)phenyl]furan-2-carboxamide?
The IUPAC name of 3-[4-(hydrazinecarbonyl)phenyl]furan-2-carboxamide (CID 152505034) is 3-[4-(hydrazinecarbonyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 3-[4-(hydrazinecarbonyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 3-[4-(hydrazinecarbonyl)phenyl]furan-2-carboxamide is NNC(=O)c1ccc(-c2ccoc2C(N)=O)cc1.
What is the InChIKey of 3-[4-(hydrazinecarbonyl)phenyl]furan-2-carboxamide?
The InChIKey is YEGSMEKAKYJXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c13-11(16)10-9(5-6-18-10)7-1-3-8(4-2-7)12(17)15-14/h1-6H,14H2,(H2,13,16)(H,15,17).
What are the key properties of 3-[4-(hydrazinecarbonyl)phenyl]furan-2-carboxamide?
3-[4-(hydrazinecarbonyl)phenyl]furan-2-carboxamide has a molecular weight of 245.24 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydrazinecarbonyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 152505034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).