(Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enamide

C16H14BrNO2 — CID 132592839

IUPAC(Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enamide
SMILESCc1cccc(O/C(=C\c2ccc(Br)cc2)C(N)=O)c1
InChIInChI=1S/C16H14BrNO2/c1-11-3-2-4-14(9-11)20-15(16(18)19)10-12-5-7-13(17)8-6-12/h2-10H,1H3,(H2,18,19)/b15-10-
InChIKeyYXMWJEFNAMOVHE-GDNBJRDFSA-N
MW332.20 g/mol
LogP3.66
Rot. Bonds4

About (Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enamide

(Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enamide (PubChem CID 132592839) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is (Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enamide
PubChem CID132592839
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name(Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enamide
SMILESCc1cccc(O/C(=C\c2ccc(Br)cc2)C(N)=O)c1
InChIInChI=1S/C16H14BrNO2/c1-11-3-2-4-14(9-11)20-15(16(18)19)10-12-5-7-13(17)8-6-12/h2-10H,1H3,(H2,18,19)/b15-10-
InChIKeyYXMWJEFNAMOVHE-GDNBJRDFSA-N
XLogP3.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enehydrazide
CID 132592828
2-phenoxy-3-phenylprop-2-enamide
CID 70366581
(Z)-2-(4-bromophenoxy)-3-(4-methylphenyl)prop-2-enehydrazide
CID 132591998
(2Z)-2-(methylideneamino)-4-(3-methylphenoxy)penta-2,4-dienamide
CID 142007343
1-O-ethyl 4-O-(3-methylphenyl) butanedioate
CID 91702415
ethene;(3-methylphenyl) prop-2-enoate
CID 161018707
(3-methylphenyl) 3-aminopropanoate
CID 82111471
(3-methylphenyl) 3-bromo-4-methylbenzoate
CID 23011064
N-[(E)-1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]-3-methylbenzamide
CID 2266330
N-[1-(4-bromophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]-3-methylbenzamide
CID 1366810
bis(3-methylphenyl) pentanedioate
CID 70246036
(3-methylphenyl) 2,2,3,3,3-pentafluoropropanoate
CID 532724

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enamide?
The IUPAC name of (Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enamide (CID 132592839) is (Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enamide.
What is the SMILES notation for (Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enamide?
The canonical SMILES for (Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enamide is Cc1cccc(O/C(=C\c2ccc(Br)cc2)C(N)=O)c1.
What is the InChIKey of (Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enamide?
The InChIKey is YXMWJEFNAMOVHE-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H14BrNO2/c1-11-3-2-4-14(9-11)20-15(16(18)19)10-12-5-7-13(17)8-6-12/h2-10H,1H3,(H2,18,19)/b15-10-.
What are the key properties of (Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enamide?
(Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enamide has a molecular weight of 332.20 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-bromophenyl)-2-(3-methylphenoxy)prop-2-enamide is sourced from PubChem (CID 132592839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).