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

C15H11BrN2O4 — CID 132591993

IUPAC(Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enamide
SMILESNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O4/c16-11-4-6-13(7-5-11)22-14(15(17)19)9-10-2-1-3-12(8-10)18(20)21/h1-9H,(H2,17,19)/b14-9-
InChIKeyIJKJBPKWLUMVCO-ZROIWOOFSA-N
MW363.17 g/mol
LogP3.26
Rot. Bonds5

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

(Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 132591993) has the molecular formula C15H11BrN2O4 and a molecular weight of 363.17 g/mol. Its IUPAC name is (Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enamide
PubChem CID132591993
Molecular FormulaC15H11BrN2O4
Molecular Weight363.17 g/mol
Exact Mass361.99
IUPAC Name(Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enamide
SMILESNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O4/c16-11-4-6-13(7-5-11)22-14(15(17)19)9-10-2-1-3-12(8-10)18(20)21/h1-9H,(H2,17,19)/b14-9-
InChIKeyIJKJBPKWLUMVCO-ZROIWOOFSA-N
XLogP3.26
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.17
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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

(Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide
CID 132591997
(Z)-2-(4-methylphenoxy)-3-(3-nitrophenyl)prop-2-enehydrazide
CID 132592007
(Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enamide
CID 132592839
(E)-3-(3-nitrophenyl)-2-(4-nitrophenyl)prop-2-enamide
CID 5373272
2-(4-bromophenyl)-3-(3-nitrophenyl)prop-2-enenitrile
CID 2973439
(E)-2-[(4-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoate
CID 7478120
(E)-1-(4-bromophenyl)-3-(2-hydroxyphenyl)-2-(4-nitrophenoxy)prop-2-en-1-one
CID 10741745
(3-nitrophenyl) 2-amino-2-oxoacetate
CID 91622405
3-(3-nitrophenyl)prop-2-enamide
CID 692292
1-(3-nitrophenyl)prop-1-en-2-yl acetate
CID 131853460
methyl (2E)-2-[(3-nitrophenyl)methylidene]butanoate
CID 59654824
1-[(Z)-2-iodoprop-1-enyl]-3-nitrobenzene
CID 11822354

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of (Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enamide (CID 132591993) is (Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enamide is NC(=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-enamide?
The InChIKey is IJKJBPKWLUMVCO-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H11BrN2O4/c16-11-4-6-13(7-5-11)22-14(15(17)19)9-10-2-1-3-12(8-10)18(20)21/h1-9H,(H2,17,19)/b14-9-.
What are the key properties of (Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enamide?
(Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 363.17 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-bromophenoxy)-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 132591993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).