(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]prop-2-enehydrazide

C13H10ClN3O4 — CID 91675713

IUPAC(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]prop-2-enehydrazide
SMILESNNC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1
InChIInChI=1S/C13H10ClN3O4/c14-8-1-4-10(11(7-8)17(19)20)12-5-2-9(21-12)3-6-13(18)16-15/h1-7H,15H2,(H,16,18)/b6-3+
InChIKeyVJHBUOHNZHBZPY-ZZXKWVIFSA-N
MW307.69 g/mol
LogP2.51
Rot. Bonds4

About (E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]prop-2-enehydrazide

(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]prop-2-enehydrazide (PubChem CID 91675713) has the molecular formula C13H10ClN3O4 and a molecular weight of 307.69 g/mol. Its IUPAC name is (E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]prop-2-enehydrazide
PubChem CID91675713
Molecular FormulaC13H10ClN3O4
Molecular Weight307.69 g/mol
Exact Mass307.04
IUPAC Name(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]prop-2-enehydrazide
SMILESNNC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1
InChIInChI=1S/C13H10ClN3O4/c14-8-1-4-10(11(7-8)17(19)20)12-5-2-9(21-12)3-6-13(18)16-15/h1-7H,15H2,(H,16,18)/b6-3+
InChIKeyVJHBUOHNZHBZPY-ZZXKWVIFSA-N
XLogP2.51
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[5-(4-bromo-2-nitrophenyl)furan-2-yl]prop-2-enehydrazide
CID 91675716
(E)-N-(3-bromophenyl)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 51057414
(E)-N-(2,5-dichlorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 1244901
3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(4-methyl-2-nitrophenyl)prop-2-enamide
CID 3275053
2-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
CID 789763
(E)-3-[5-(4-bromo-2-nitrophenyl)furan-2-yl]prop-2-enoyl chloride
CID 91675715
(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoate
CID 6932977
N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzamide
CID 9073127
N'-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide
CID 9351695
2-(4-chloroanilino)-N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126369010
3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enoic acid
CID 53395882
(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-cyano-N-propan-2-ylprop-2-enamide
CID 7333579

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]prop-2-enehydrazide?
The IUPAC name of (E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]prop-2-enehydrazide (CID 91675713) is (E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]prop-2-enehydrazide is NNC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1.
What is the InChIKey of (E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]prop-2-enehydrazide?
The InChIKey is VJHBUOHNZHBZPY-ZZXKWVIFSA-N. The full InChI is InChI=1S/C13H10ClN3O4/c14-8-1-4-10(11(7-8)17(19)20)12-5-2-9(21-12)3-6-13(18)16-15/h1-7H,15H2,(H,16,18)/b6-3+.
What are the key properties of (E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]prop-2-enehydrazide?
(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]prop-2-enehydrazide has a molecular weight of 307.69 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]prop-2-enehydrazide is sourced from PubChem (CID 91675713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).