(Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide

C15H12BrN3O4 — CID 132591997

IUPAC(Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide
SMILESNNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1
InChIInChI=1S/C15H12BrN3O4/c16-11-4-6-13(7-5-11)23-14(15(20)18-17)9-10-2-1-3-12(8-10)19(21)22/h1-9H,17H2,(H,18,20)/b14-9-
InChIKeyVAKUAQMCWKDSOM-ZROIWOOFSA-N
MW378.18 g/mol
LogP2.77
Rot. Bonds5

About (Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide

(Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide (PubChem CID 132591997) has the molecular formula C15H12BrN3O4 and a molecular weight of 378.18 g/mol. Its IUPAC name is (Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide
PubChem CID132591997
Molecular FormulaC15H12BrN3O4
Molecular Weight378.18 g/mol
Exact Mass377.00
IUPAC Name(Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide
SMILESNNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1
InChIInChI=1S/C15H12BrN3O4/c16-11-4-6-13(7-5-11)23-14(15(20)18-17)9-10-2-1-3-12(8-10)19(21)22/h1-9H,17H2,(H,18,20)/b14-9-
InChIKeyVAKUAQMCWKDSOM-ZROIWOOFSA-N
XLogP2.77
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.18
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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'}

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Related Compounds

(Z)-2-(4-methylphenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide
CID 132592007
(Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enamide
CID 132591993
(Z)-2-(4-bromophenoxy)-3-(4-methylphenyl)prop-2-enehydrazide
CID 132591998
(Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enehydrazide
CID 132592828
(E)-2-[(4-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoate
CID 7478120
2-(4-bromophenyl)-3-(3-nitrophenyl)prop-2-enenitrile
CID 2973439
N-[(E)-3-(4-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-4-methoxybenzamide
CID 46497016
methyl (2E)-2-[(3-nitrophenyl)methylidene]butanoate
CID 59654824
2-bromo-N-[(Z)-3-(4-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 45105629
(E)-1-(4-bromophenyl)-3-(2-hydroxyphenyl)-2-(4-nitrophenoxy)prop-2-en-1-one
CID 10741745
N-[3-(benzylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
CID 1330234
N-[(E)-3-(4-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2274339

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide?
The IUPAC name of (Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide (CID 132591997) is (Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide.
What is the SMILES notation for (Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide?
The canonical SMILES for (Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide is NNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1.
What is the InChIKey of (Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide?
The InChIKey is VAKUAQMCWKDSOM-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H12BrN3O4/c16-11-4-6-13(7-5-11)23-14(15(20)18-17)9-10-2-1-3-12(8-10)19(21)22/h1-9H,17H2,(H,18,20)/b14-9-.
What are the key properties of (Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide?
(Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide has a molecular weight of 378.18 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide is sourced from PubChem (CID 132591997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).