2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetic acid

C11H11BrClNO3 — CID 107937807

IUPAC2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H11BrClNO3/c1-2-14(6-10(15)16)11(17)7-3-8(12)5-9(13)4-7/h3-5H,2,6H2,1H3,(H,15,16)
InChIKeyCINAZIOQEAYKNS-UHFFFAOYSA-N
MW320.57 g/mol
LogP2.65
Rot. Bonds4

About 2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetic acid

2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetic acid (PubChem CID 107937807) has the molecular formula C11H11BrClNO3 and a molecular weight of 320.57 g/mol. Its IUPAC name is 2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetic acid
PubChem CID107937807
Molecular FormulaC11H11BrClNO3
Molecular Weight320.57 g/mol
Exact Mass318.96
IUPAC Name2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H11BrClNO3/c1-2-14(6-10(15)16)11(17)7-3-8(12)5-9(13)4-7/h3-5H,2,6H2,1H3,(H,15,16)
InChIKeyCINAZIOQEAYKNS-UHFFFAOYSA-N
XLogP2.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.57
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 113286144
methyl 2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetate
CID 103826884
2-[(3-chlorobenzoyl)-ethylamino]acetic acid
CID 61021485
3-bromo-N-(3-bromopropyl)-5-chloro-N-ethylbenzamide
CID 107941380
3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781
2-[(3,5-dihydroxybenzoyl)-ethylamino]acetic acid
CID 107702457
2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166
2-[(3-chloro-4-fluorobenzoyl)-ethylamino]acetic acid
CID 82875630
3-bromo-5-chloro-N-ethyl-N-(4-methylphenyl)benzamide
CID 107952307
2-[(3-bromo-5-methylbenzoyl)-propylamino]acetic acid
CID 104850711
3-[(3-bromo-5-chlorobenzoyl)-tert-butylamino]propanoic acid
CID 107937782
2-[(3,5-dibromobenzoyl)-prop-2-ynylamino]acetic acid
CID 107971562

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetic acid?
The IUPAC name of 2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetic acid (CID 107937807) is 2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetic acid?
The InChIKey is CINAZIOQEAYKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO3/c1-2-14(6-10(15)16)11(17)7-3-8(12)5-9(13)4-7/h3-5H,2,6H2,1H3,(H,15,16).
What are the key properties of 2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetic acid?
2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetic acid has a molecular weight of 320.57 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetic acid is sourced from PubChem (CID 107937807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).