2-(4-bromo-2-chlorophenoxy)-N-[4-(diethylamino)phenyl]acetamide

C18H20BrClN2O2 — CID 1015139

IUPAC2-(4-bromo-2-chlorophenoxy)-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C18H20BrClN2O2/c1-3-22(4-2)15-8-6-14(7-9-15)21-18(23)12-24-17-10-5-13(19)11-16(17)20/h5-11H,3-4,12H2,1-2H3,(H,21,23)
InChIKeyFCTLYTVUJCPDHQ-UHFFFAOYSA-N
MW411.73 g/mol
LogP4.97
Rot. Bonds7

About 2-(4-bromo-2-chlorophenoxy)-N-[4-(diethylamino)phenyl]acetamide

2-(4-bromo-2-chlorophenoxy)-N-[4-(diethylamino)phenyl]acetamide (PubChem CID 1015139) has the molecular formula C18H20BrClN2O2 and a molecular weight of 411.73 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-[4-(diethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-[4-(diethylamino)phenyl]acetamide
PubChem CID1015139
Molecular FormulaC18H20BrClN2O2
Molecular Weight411.73 g/mol
Exact Mass410.04
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C18H20BrClN2O2/c1-3-22(4-2)15-8-6-14(7-9-15)21-18(23)12-24-17-10-5-13(19)11-16(17)20/h5-11H,3-4,12H2,1-2H3,(H,21,23)
InChIKeyFCTLYTVUJCPDHQ-UHFFFAOYSA-N
XLogP4.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.73
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-ethylbenzamide
CID 17234319
2-(4-bromo-2-chlorophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
CID 7313472
2-(4-bromo-2-chlorophenoxy)-N-(4-butan-2-ylphenyl)acetamide
CID 4623642
2-[4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35365453
4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 9289895
2-(6-bromonaphthalen-2-yl)oxy-N-[4-(diethylamino)phenyl]acetamide
CID 3872632
ethyl 5-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-2-chlorobenzoate
CID 92646634
4-[2-[2-(4-bromo-2-chlorophenoxy)acetyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 3650888
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 16528162
N-[4-(diethylamino)phenyl]-2-(2-hydroxyphenoxy)acetamide
CID 78776642
2-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 5089742
2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 2788023

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[4-(diethylamino)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[4-(diethylamino)phenyl]acetamide (CID 1015139) is 2-(4-bromo-2-chlorophenoxy)-N-[4-(diethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-[4-(diethylamino)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-[4-(diethylamino)phenyl]acetamide is CCN(CC)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-[4-(diethylamino)phenyl]acetamide?
The InChIKey is FCTLYTVUJCPDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2O2/c1-3-22(4-2)15-8-6-14(7-9-15)21-18(23)12-24-17-10-5-13(19)11-16(17)20/h5-11H,3-4,12H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-[4-(diethylamino)phenyl]acetamide?
2-(4-bromo-2-chlorophenoxy)-N-[4-(diethylamino)phenyl]acetamide has a molecular weight of 411.73 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-[4-(diethylamino)phenyl]acetamide is sourced from PubChem (CID 1015139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).