N-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl]-2-(2-chlorophenoxy)acetamide

C23H17BrClNO3 — CID 4146678

IUPACN-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl]-2-(2-chlorophenoxy)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H17BrClNO3/c24-18-10-8-17(9-11-18)21(27)14-7-16-5-12-19(13-6-16)26-23(28)15-29-22-4-2-1-3-20(22)25/h1-14H,15H2,(H,26,28)
InChIKeyNQZPQRUCLCEIPM-UHFFFAOYSA-N
MW470.75 g/mol
LogP6.02
Rot. Bonds7

About N-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl]-2-(2-chlorophenoxy)acetamide

N-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl]-2-(2-chlorophenoxy)acetamide (PubChem CID 4146678) has the molecular formula C23H17BrClNO3 and a molecular weight of 470.75 g/mol. Its IUPAC name is N-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl]-2-(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl]-2-(2-chlorophenoxy)acetamide
PubChem CID4146678
Molecular FormulaC23H17BrClNO3
Molecular Weight470.75 g/mol
Exact Mass469.01
IUPAC NameN-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl]-2-(2-chlorophenoxy)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H17BrClNO3/c24-18-10-8-17(9-11-18)21(27)14-7-16-5-12-19(13-6-16)26-23(28)15-29-22-4-2-1-3-20(22)25/h1-14H,15H2,(H,26,28)
InChIKeyNQZPQRUCLCEIPM-UHFFFAOYSA-N
XLogP6.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.75
LogP ≤ 56.02
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

2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
(E)-1-(4-bromophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 175919644
N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide
CID 108789381
2-(2-chlorophenoxy)-N-(4-phenylphenyl)acetamide
CID 7926033
4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 2631997
2-[[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid
CID 45434890
4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
CID 1221634
N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide
CID 7128222
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
2-(4-bromophenoxy)-N-[4-(3-oxo-3-thiophen-2-ylprop-1-enyl)phenyl]acetamide
CID 2926395
2-(2-chlorophenoxy)-N-pyridin-4-ylacetamide
CID 21229438
N-(2-chlorophenyl)-2-[4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetamide
CID 27112870

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl]-2-(2-chlorophenoxy)acetamide?
The IUPAC name of N-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl]-2-(2-chlorophenoxy)acetamide (CID 4146678) is N-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl]-2-(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl]-2-(2-chlorophenoxy)acetamide?
The canonical SMILES for N-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl]-2-(2-chlorophenoxy)acetamide is O=C(COc1ccccc1Cl)Nc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl]-2-(2-chlorophenoxy)acetamide?
The InChIKey is NQZPQRUCLCEIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrClNO3/c24-18-10-8-17(9-11-18)21(27)14-7-16-5-12-19(13-6-16)26-23(28)15-29-22-4-2-1-3-20(22)25/h1-14H,15H2,(H,26,28).
What are the key properties of N-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl]-2-(2-chlorophenoxy)acetamide?
N-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl]-2-(2-chlorophenoxy)acetamide has a molecular weight of 470.75 g/mol, XLogP of 6.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl]-2-(2-chlorophenoxy)acetamide is sourced from PubChem (CID 4146678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).