2-(2-bromo-5-chlorophenyl)-2-(propan-2-ylamino)acetic acid

C11H13BrClNO2 — CID 66155862

IUPAC2-(2-bromo-5-chlorophenyl)-2-(propan-2-ylamino)acetic acid
SMILESCC(C)NC(C(=O)O)c1cc(Cl)ccc1Br
InChIInChI=1S/C11H13BrClNO2/c1-6(2)14-10(11(15)16)8-5-7(13)3-4-9(8)12/h3-6,10,14H,1-2H3,(H,15,16)
InChIKeyXOJBCRHNASWTHE-UHFFFAOYSA-N
MW306.59 g/mol
LogP3.23
Rot. Bonds4

About 2-(2-bromo-5-chlorophenyl)-2-(propan-2-ylamino)acetic acid

2-(2-bromo-5-chlorophenyl)-2-(propan-2-ylamino)acetic acid (PubChem CID 66155862) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-2-(propan-2-ylamino)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-2-(propan-2-ylamino)acetic acid
PubChem CID66155862
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name2-(2-bromo-5-chlorophenyl)-2-(propan-2-ylamino)acetic acid
SMILESCC(C)NC(C(=O)O)c1cc(Cl)ccc1Br
InChIInChI=1S/C11H13BrClNO2/c1-6(2)14-10(11(15)16)8-5-7(13)3-4-9(8)12/h3-6,10,14H,1-2H3,(H,15,16)
InChIKeyXOJBCRHNASWTHE-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-2-(2-bromo-5-chlorophenyl)acetamide
CID 66156253
2-(5-chloro-2-fluorophenyl)-2-(propan-2-ylamino)acetamide
CID 114843526
(1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine
CID 131168067
2-(2-bromo-5-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 66155462
ethyl 2-(2-bromo-5-chlorophenyl)-2-(2-methylpropylamino)acetate
CID 66156658
methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetate
CID 66157058
methyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate
CID 66156456
(1R)-1-(2-bromo-5-chlorophenyl)propane-1,2-diol
CID 130741211
2-(2-bromo-5-chlorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 79041273
2-(2-bromo-5-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetic acid
CID 66156659
methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclohexylamino)acetate
CID 66157260
[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]-tert-butylcarbamic acid
CID 121362468

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-2-(propan-2-ylamino)acetic acid?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-2-(propan-2-ylamino)acetic acid (CID 66155862) is 2-(2-bromo-5-chlorophenyl)-2-(propan-2-ylamino)acetic acid.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-2-(propan-2-ylamino)acetic acid?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-2-(propan-2-ylamino)acetic acid is CC(C)NC(C(=O)O)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-2-(propan-2-ylamino)acetic acid?
The InChIKey is XOJBCRHNASWTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-6(2)14-10(11(15)16)8-5-7(13)3-4-9(8)12/h3-6,10,14H,1-2H3,(H,15,16).
What are the key properties of 2-(2-bromo-5-chlorophenyl)-2-(propan-2-ylamino)acetic acid?
2-(2-bromo-5-chlorophenyl)-2-(propan-2-ylamino)acetic acid has a molecular weight of 306.59 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-2-(propan-2-ylamino)acetic acid is sourced from PubChem (CID 66155862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).