(Z)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide

C17H16BrNO3 — CID 170877289

IUPAC(Z)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide
SMILESCOc1ccc(/C=C\C(N)=O)cc1COc1ccccc1Br
InChIInChI=1S/C17H16BrNO3/c1-21-15-8-6-12(7-9-17(19)20)10-13(15)11-22-16-5-3-2-4-14(16)18/h2-10H,11H2,1H3,(H2,19,20)/b9-7-
InChIKeyFTVUJDKAWQPTFQ-CLFYSBASSA-N
MW362.22 g/mol
LogP3.54
Rot. Bonds6

About (Z)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide

(Z)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide (PubChem CID 170877289) has the molecular formula C17H16BrNO3 and a molecular weight of 362.22 g/mol. Its IUPAC name is (Z)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide
PubChem CID170877289
Molecular FormulaC17H16BrNO3
Molecular Weight362.22 g/mol
Exact Mass361.03
IUPAC Name(Z)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide
SMILESCOc1ccc(/C=C\C(N)=O)cc1COc1ccccc1Br
InChIInChI=1S/C17H16BrNO3/c1-21-15-8-6-12(7-9-17(19)20)10-13(15)11-22-16-5-3-2-4-14(16)18/h2-10H,11H2,1H3,(H2,19,20)/b9-7-
InChIKeyFTVUJDKAWQPTFQ-CLFYSBASSA-N
XLogP3.54
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-1-(2-methoxyphenyl)prop-2-en-1-one
CID 19566883
[5-[(Z)-3-amino-3-oxoprop-1-enyl]-2-methoxyphenyl]methyl acetate
CID 170877335
[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazine
CID 168529800
(Z)-3-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide
CID 170877280
(E)-3-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]-1-(2-methoxyphenyl)prop-2-en-1-one
CID 19566951
3-[(2-bromophenoxy)methyl]-4-methoxyaniline
CID 43134680
(Z)-3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]prop-2-enamide
CID 170877314
(E)-3-[3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl]-1-cyclopropylprop-2-en-1-one
CID 19558866
3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enoate
CID 4748250
(E)-3-[3-[(2-cyanophenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid
CID 6033471
(E)-3-[4-methoxy-3-[(2-methylphenoxy)methyl]phenyl]-1-(4-methylphenyl)prop-2-en-1-one
CID 19564957
(E)-1-(4-bromophenyl)-3-[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]prop-2-en-1-one
CID 19541404

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide?
The IUPAC name of (Z)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide (CID 170877289) is (Z)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide?
The canonical SMILES for (Z)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide is COc1ccc(/C=C\C(N)=O)cc1COc1ccccc1Br.
What is the InChIKey of (Z)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide?
The InChIKey is FTVUJDKAWQPTFQ-CLFYSBASSA-N. The full InChI is InChI=1S/C17H16BrNO3/c1-21-15-8-6-12(7-9-17(19)20)10-13(15)11-22-16-5-3-2-4-14(16)18/h2-10H,11H2,1H3,(H2,19,20)/b9-7-.
What are the key properties of (Z)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide?
(Z)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide has a molecular weight of 362.22 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]prop-2-enamide is sourced from PubChem (CID 170877289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).