3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide

C15H12BrClN2O3 — CID 25431218

IUPAC3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C15H12BrClN2O3/c16-12-7-10(17)4-5-13(12)22-8-14(20)19-11-3-1-2-9(6-11)15(18)21/h1-7H,8H2,(H2,18,21)(H,19,20)
InChIKeyCRCAQJKNMZBQDV-UHFFFAOYSA-N
MW383.63 g/mol
LogP3.22
Rot. Bonds5

About 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide

3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide (PubChem CID 25431218) has the molecular formula C15H12BrClN2O3 and a molecular weight of 383.63 g/mol. Its IUPAC name is 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
PubChem CID25431218
Molecular FormulaC15H12BrClN2O3
Molecular Weight383.63 g/mol
Exact Mass381.97
IUPAC Name3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C15H12BrClN2O3/c16-12-7-10(17)4-5-13(12)22-8-14(20)19-11-3-1-2-9(6-11)15(18)21/h1-7H,8H2,(H2,18,21)(H,19,20)
InChIKeyCRCAQJKNMZBQDV-UHFFFAOYSA-N
XLogP3.22
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.63
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(3-bromophenyl)acetamide
CID 19202088
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164499
N-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231269
2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7900662
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 29276938
3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]benzamide
CID 26160442
3-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
CID 51152953
2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide
CID 5229732
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 11839533
ethyl 4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 5254135
4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 8807740
3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide
CID 26160615

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide?
The IUPAC name of 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide (CID 25431218) is 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide is NC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2Br)c1.
What is the InChIKey of 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide?
The InChIKey is CRCAQJKNMZBQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O3/c16-12-7-10(17)4-5-13(12)22-8-14(20)19-11-3-1-2-9(6-11)15(18)21/h1-7H,8H2,(H2,18,21)(H,19,20).
What are the key properties of 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide?
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide has a molecular weight of 383.63 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 25431218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).