ethyl 4-[[2-(4-bromophenoxy)acetyl]amino]-2-chlorobenzoate

C17H15BrClNO4 — CID 92677982

IUPACethyl 4-[[2-(4-bromophenoxy)acetyl]amino]-2-chlorobenzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C17H15BrClNO4/c1-2-23-17(22)14-8-5-12(9-15(14)19)20-16(21)10-24-13-6-3-11(18)4-7-13/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyKHOQSBHBPOFFQO-UHFFFAOYSA-N
MW412.67 g/mol
LogP4.30
Rot. Bonds6

About ethyl 4-[[2-(4-bromophenoxy)acetyl]amino]-2-chlorobenzoate

ethyl 4-[[2-(4-bromophenoxy)acetyl]amino]-2-chlorobenzoate (PubChem CID 92677982) has the molecular formula C17H15BrClNO4 and a molecular weight of 412.67 g/mol. Its IUPAC name is ethyl 4-[[2-(4-bromophenoxy)acetyl]amino]-2-chlorobenzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-bromophenoxy)acetyl]amino]-2-chlorobenzoate
PubChem CID92677982
Molecular FormulaC17H15BrClNO4
Molecular Weight412.67 g/mol
Exact Mass410.99
IUPAC Nameethyl 4-[[2-(4-bromophenoxy)acetyl]amino]-2-chlorobenzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C17H15BrClNO4/c1-2-23-17(22)14-8-5-12(9-15(14)19)20-16(21)10-24-13-6-3-11(18)4-7-13/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyKHOQSBHBPOFFQO-UHFFFAOYSA-N
XLogP4.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.67
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate
CID 99952962
ethyl 2-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate
CID 28564603
ethyl 5-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-2-chlorobenzoate
CID 92646634
ethyl 4-[[2-(3-bromophenyl)acetyl]amino]-2-chlorobenzoate
CID 100700181
ethyl 4-[[2-(4-bromo-N-methylsulfonylanilino)acetyl]amino]-2-chlorobenzoate
CID 28635517
N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 112977351
N-(3,4-dichlorophenyl)-2-(4-ethylphenoxy)acetamide
CID 706860
[2-(4-bromoanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2570281
N-(3,4-dichlorophenyl)-2-[4-(2-ethoxyethoxy)phenoxy]acetamide
CID 4732949
ethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate
CID 7694682
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate
CID 92673889

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-bromophenoxy)acetyl]amino]-2-chlorobenzoate?
The IUPAC name of ethyl 4-[[2-(4-bromophenoxy)acetyl]amino]-2-chlorobenzoate (CID 92677982) is ethyl 4-[[2-(4-bromophenoxy)acetyl]amino]-2-chlorobenzoate.
What is the SMILES notation for ethyl 4-[[2-(4-bromophenoxy)acetyl]amino]-2-chlorobenzoate?
The canonical SMILES for ethyl 4-[[2-(4-bromophenoxy)acetyl]amino]-2-chlorobenzoate is CCOC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1Cl.
What is the InChIKey of ethyl 4-[[2-(4-bromophenoxy)acetyl]amino]-2-chlorobenzoate?
The InChIKey is KHOQSBHBPOFFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO4/c1-2-23-17(22)14-8-5-12(9-15(14)19)20-16(21)10-24-13-6-3-11(18)4-7-13/h3-9H,2,10H2,1H3,(H,20,21).
What are the key properties of ethyl 4-[[2-(4-bromophenoxy)acetyl]amino]-2-chlorobenzoate?
ethyl 4-[[2-(4-bromophenoxy)acetyl]amino]-2-chlorobenzoate has a molecular weight of 412.67 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-bromophenoxy)acetyl]amino]-2-chlorobenzoate is sourced from PubChem (CID 92677982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).