2-bromo-2-(4-chlorophenoxy)-N,N-bis(prop-2-enyl)acetamide

C14H15BrClNO2 — CID 13025695

IUPAC2-bromo-2-(4-chlorophenoxy)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)C(Br)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H15BrClNO2/c1-3-9-17(10-4-2)14(18)13(15)19-12-7-5-11(16)6-8-12/h3-8,13H,1-2,9-10H2
InChIKeyMJNQDJCHRCKQLF-UHFFFAOYSA-N
MW344.64 g/mol
LogP3.64
Rot. Bonds7

About 2-bromo-2-(4-chlorophenoxy)-N,N-bis(prop-2-enyl)acetamide

2-bromo-2-(4-chlorophenoxy)-N,N-bis(prop-2-enyl)acetamide (PubChem CID 13025695) has the molecular formula C14H15BrClNO2 and a molecular weight of 344.64 g/mol. Its IUPAC name is 2-bromo-2-(4-chlorophenoxy)-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-bromo-2-(4-chlorophenoxy)-N,N-bis(prop-2-enyl)acetamide
PubChem CID13025695
Molecular FormulaC14H15BrClNO2
Molecular Weight344.64 g/mol
Exact Mass343.00
IUPAC Name2-bromo-2-(4-chlorophenoxy)-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)C(Br)Oc1ccc(Cl)cc1
InChIInChI=1S/C14H15BrClNO2/c1-3-9-17(10-4-2)14(18)13(15)19-12-7-5-11(16)6-8-12/h3-8,13H,1-2,9-10H2
InChIKeyMJNQDJCHRCKQLF-UHFFFAOYSA-N
XLogP3.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.64
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-chlorophenoxy)propyl]-N-prop-2-enylacetamide
CID 84571935
(2S)-2-phenoxy-N,N-bis(prop-2-enyl)butanamide
CID 40579720
N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-(4-chlorophenoxy)acetamide
CID 113052275
[4-bromo-4-(4-chlorophenoxy)-2,2-dimethyl-3-oxobutyl] N,N-dimethylcarbamate
CID 21319239
3-[(4-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108899227
2-acetamido-3-(4-chlorophenyl)sulfanyl-N,N-bis(prop-2-enyl)propanamide
CID 3275957
N-(2-hydroxyethyl)-2-(4-methylphenoxy)-N-prop-2-enylpropanamide
CID 115775825
propan-2-yl 4-bromo-4-(4-chlorophenoxy)-2,2-dimethyl-3-oxobutanoate
CID 54108532
2-[acetyl(prop-2-enyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113158570
3-[(4-chlorobenzoyl)-prop-2-enylamino]-2-methylpropanoic acid
CID 82325395
N-[(4-chlorophenyl)methyl]-N',N'-bis(prop-2-enyl)oxamide
CID 108507708
2-[3-(4-chlorophenoxy)propyl-prop-2-enylamino]acetic acid
CID 79275482

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(4-chlorophenoxy)-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-bromo-2-(4-chlorophenoxy)-N,N-bis(prop-2-enyl)acetamide (CID 13025695) is 2-bromo-2-(4-chlorophenoxy)-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-bromo-2-(4-chlorophenoxy)-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-bromo-2-(4-chlorophenoxy)-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)C(Br)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-bromo-2-(4-chlorophenoxy)-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is MJNQDJCHRCKQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO2/c1-3-9-17(10-4-2)14(18)13(15)19-12-7-5-11(16)6-8-12/h3-8,13H,1-2,9-10H2.
What are the key properties of 2-bromo-2-(4-chlorophenoxy)-N,N-bis(prop-2-enyl)acetamide?
2-bromo-2-(4-chlorophenoxy)-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 344.64 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(4-chlorophenoxy)-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 13025695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).