2-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-phenylacetic acid

C16H15BrClNO2 — CID 82775621

IUPAC2-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-phenylacetic acid
SMILESCC(NC(C(=O)O)c1ccccc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H15BrClNO2/c1-10(13-8-7-12(17)9-14(13)18)19-15(16(20)21)11-5-3-2-4-6-11/h2-10,15,19H,1H3,(H,20,21)
InChIKeyXNULTZFKGNYAEF-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.58
Rot. Bonds5

About 2-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-phenylacetic acid

2-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-phenylacetic acid (PubChem CID 82775621) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 2-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-phenylacetic acid
PubChem CID82775621
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name2-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-phenylacetic acid
SMILESCC(NC(C(=O)O)c1ccccc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H15BrClNO2/c1-10(13-8-7-12(17)9-14(13)18)19-15(16(20)21)11-5-3-2-4-6-11/h2-10,15,19H,1H3,(H,20,21)
InChIKeyXNULTZFKGNYAEF-UHFFFAOYSA-N
XLogP4.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-bromo-2-chlorophenyl)ethylamino]-3-methylbutanoic acid
CID 82773931
(1S)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 82773741
2-[1-(2-hydroxy-4-methylphenyl)ethylamino]-2-phenylacetic acid
CID 62110663
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid
CID 103257236
2-[1-(4-chloro-3-fluorophenyl)ethylamino]-2-phenylacetic acid
CID 83058705
(2R)-N-cyclopropyl-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide
CID 9041090
(2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide
CID 9041075
1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine
CID 43805215
3-(4-bromo-2-chlorophenyl)-2-methylbutanoic acid
CID 130917890
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 82775803
(2S)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 9356593
(2S)-2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-phenylacetamide
CID 35643780

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-phenylacetic acid?
The IUPAC name of 2-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-phenylacetic acid (CID 82775621) is 2-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-phenylacetic acid is CC(NC(C(=O)O)c1ccccc1)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-phenylacetic acid?
The InChIKey is XNULTZFKGNYAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-10(13-8-7-12(17)9-14(13)18)19-15(16(20)21)11-5-3-2-4-6-11/h2-10,15,19H,1H3,(H,20,21).
What are the key properties of 2-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-phenylacetic acid?
2-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-phenylacetic acid has a molecular weight of 368.66 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-phenylacetic acid is sourced from PubChem (CID 82775621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).