2-[[2-(4-bromophenoxy)acetyl]amino]-5-chlorobenzoic acid

C15H11BrClNO4 — CID 1026108

IUPAC2-[[2-(4-bromophenoxy)acetyl]amino]-5-chlorobenzoic acid
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C15H11BrClNO4/c16-9-1-4-11(5-2-9)22-8-14(19)18-13-6-3-10(17)7-12(13)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyBJAZYHQQSSMFGI-UHFFFAOYSA-N
MW384.61 g/mol
LogP3.82
Rot. Bonds5

About 2-[[2-(4-bromophenoxy)acetyl]amino]-5-chlorobenzoic acid

2-[[2-(4-bromophenoxy)acetyl]amino]-5-chlorobenzoic acid (PubChem CID 1026108) has the molecular formula C15H11BrClNO4 and a molecular weight of 384.61 g/mol. Its IUPAC name is 2-[[2-(4-bromophenoxy)acetyl]amino]-5-chlorobenzoic acid.

Molecular Properties

Compound Name2-[[2-(4-bromophenoxy)acetyl]amino]-5-chlorobenzoic acid
PubChem CID1026108
Molecular FormulaC15H11BrClNO4
Molecular Weight384.61 g/mol
Exact Mass382.96
IUPAC Name2-[[2-(4-bromophenoxy)acetyl]amino]-5-chlorobenzoic acid
SMILESO=C(COc1ccc(Br)cc1)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C15H11BrClNO4/c16-9-1-4-11(5-2-9)22-8-14(19)18-13-6-3-10(17)7-12(13)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyBJAZYHQQSSMFGI-UHFFFAOYSA-N
XLogP3.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.61
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoic acid
CID 2233863
5-chloro-2-[[2-(3-phenylphenoxy)acetyl]amino]benzoic acid
CID 66680457
2-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]-5-chlorobenzoic acid
CID 66679797
2-(4-bromophenoxy)-N-(5-chloro-2-ethoxyphenyl)acetamide
CID 60536138
4-chloro-2-[[2-(4-fluorophenoxy)acetyl]amino]benzoic acid
CID 2194379
2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid
CID 61158198
2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 2631889
N-(2-benzoyl-4-chlorophenyl)-2-(4-phenylphenoxy)acetamide
CID 19169901
2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid
CID 9320346
N-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide
CID 3967654
N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
CID 1247989
N-(4-bromo-2-fluorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 4270758

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]amino]-5-chlorobenzoic acid?
The IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]amino]-5-chlorobenzoic acid (CID 1026108) is 2-[[2-(4-bromophenoxy)acetyl]amino]-5-chlorobenzoic acid.
What is the SMILES notation for 2-[[2-(4-bromophenoxy)acetyl]amino]-5-chlorobenzoic acid?
The canonical SMILES for 2-[[2-(4-bromophenoxy)acetyl]amino]-5-chlorobenzoic acid is O=C(COc1ccc(Br)cc1)Nc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 2-[[2-(4-bromophenoxy)acetyl]amino]-5-chlorobenzoic acid?
The InChIKey is BJAZYHQQSSMFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO4/c16-9-1-4-11(5-2-9)22-8-14(19)18-13-6-3-10(17)7-12(13)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(4-bromophenoxy)acetyl]amino]-5-chlorobenzoic acid?
2-[[2-(4-bromophenoxy)acetyl]amino]-5-chlorobenzoic acid has a molecular weight of 384.61 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenoxy)acetyl]amino]-5-chlorobenzoic acid is sourced from PubChem (CID 1026108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).