ethyl 4-[[2-(3-bromophenyl)acetyl]amino]-2-chlorobenzoate

C17H15BrClNO3 — CID 100700181

IUPACethyl 4-[[2-(3-bromophenyl)acetyl]amino]-2-chlorobenzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cc2cccc(Br)c2)cc1Cl
InChIInChI=1S/C17H15BrClNO3/c1-2-23-17(22)14-7-6-13(10-15(14)19)20-16(21)9-11-4-3-5-12(18)8-11/h3-8,10H,2,9H2,1H3,(H,20,21)
InChIKeyZKXHCYLRYSFRIE-UHFFFAOYSA-N
MW396.67 g/mol
LogP4.46
Rot. Bonds5

About ethyl 4-[[2-(3-bromophenyl)acetyl]amino]-2-chlorobenzoate

ethyl 4-[[2-(3-bromophenyl)acetyl]amino]-2-chlorobenzoate (PubChem CID 100700181) has the molecular formula C17H15BrClNO3 and a molecular weight of 396.67 g/mol. Its IUPAC name is ethyl 4-[[2-(3-bromophenyl)acetyl]amino]-2-chlorobenzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(3-bromophenyl)acetyl]amino]-2-chlorobenzoate
PubChem CID100700181
Molecular FormulaC17H15BrClNO3
Molecular Weight396.67 g/mol
Exact Mass394.99
IUPAC Nameethyl 4-[[2-(3-bromophenyl)acetyl]amino]-2-chlorobenzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cc2cccc(Br)c2)cc1Cl
InChIInChI=1S/C17H15BrClNO3/c1-2-23-17(22)14-7-6-13(10-15(14)19)20-16(21)9-11-4-3-5-12(18)8-11/h3-8,10H,2,9H2,1H3,(H,20,21)
InChIKeyZKXHCYLRYSFRIE-UHFFFAOYSA-N
XLogP4.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.67
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[2-(4-bromophenoxy)acetyl]amino]-2-chlorobenzoate
CID 92677982
2-(3-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 112998184
ethyl 2-chloro-4-[3-(4-chlorophenyl)propanoylamino]benzoate
CID 100589864
ethyl 2-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate
CID 28564603
2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide
CID 100697605
ethyl 4-[[2-(4-bromo-N-methylsulfonylanilino)acetyl]amino]-2-chlorobenzoate
CID 28635517
ethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate
CID 11654003
ethyl 4-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-2-chlorobenzoate
CID 46771686
ethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate
CID 99952962
[4-[[4-[[2-(3-bromophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108930681
2-(3-bromophenyl)-N-naphthalen-2-ylacetamide
CID 100697686
ethyl 2-chloro-4-(propylamino)benzoate
CID 154119419

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3-bromophenyl)acetyl]amino]-2-chlorobenzoate?
The IUPAC name of ethyl 4-[[2-(3-bromophenyl)acetyl]amino]-2-chlorobenzoate (CID 100700181) is ethyl 4-[[2-(3-bromophenyl)acetyl]amino]-2-chlorobenzoate.
What is the SMILES notation for ethyl 4-[[2-(3-bromophenyl)acetyl]amino]-2-chlorobenzoate?
The canonical SMILES for ethyl 4-[[2-(3-bromophenyl)acetyl]amino]-2-chlorobenzoate is CCOC(=O)c1ccc(NC(=O)Cc2cccc(Br)c2)cc1Cl.
What is the InChIKey of ethyl 4-[[2-(3-bromophenyl)acetyl]amino]-2-chlorobenzoate?
The InChIKey is ZKXHCYLRYSFRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO3/c1-2-23-17(22)14-7-6-13(10-15(14)19)20-16(21)9-11-4-3-5-12(18)8-11/h3-8,10H,2,9H2,1H3,(H,20,21).
What are the key properties of ethyl 4-[[2-(3-bromophenyl)acetyl]amino]-2-chlorobenzoate?
ethyl 4-[[2-(3-bromophenyl)acetyl]amino]-2-chlorobenzoate has a molecular weight of 396.67 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3-bromophenyl)acetyl]amino]-2-chlorobenzoate is sourced from PubChem (CID 100700181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).