2-(2-bromoanilino)-2-(3-cyclopropylphenyl)acetic acid

C17H16BrNO2 — CID 79972022

IUPAC2-(2-bromoanilino)-2-(3-cyclopropylphenyl)acetic acid
SMILESO=C(O)C(Nc1ccccc1Br)c1cccc(C2CC2)c1
InChIInChI=1S/C17H16BrNO2/c18-14-6-1-2-7-15(14)19-16(17(20)21)13-5-3-4-12(10-13)11-8-9-11/h1-7,10-11,16,19H,8-9H2,(H,20,21)
InChIKeyYFTFYJQLGSWKPV-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.56
Rot. Bonds5

About 2-(2-bromoanilino)-2-(3-cyclopropylphenyl)acetic acid

2-(2-bromoanilino)-2-(3-cyclopropylphenyl)acetic acid (PubChem CID 79972022) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is 2-(2-bromoanilino)-2-(3-cyclopropylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-bromoanilino)-2-(3-cyclopropylphenyl)acetic acid
PubChem CID79972022
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name2-(2-bromoanilino)-2-(3-cyclopropylphenyl)acetic acid
SMILESO=C(O)C(Nc1ccccc1Br)c1cccc(C2CC2)c1
InChIInChI=1S/C17H16BrNO2/c18-14-6-1-2-7-15(14)19-16(17(20)21)13-5-3-4-12(10-13)11-8-9-11/h1-7,10-11,16,19H,8-9H2,(H,20,21)
InChIKeyYFTFYJQLGSWKPV-UHFFFAOYSA-N
XLogP4.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-2-(3-cyclopropylphenyl)acetic acid?
The IUPAC name of 2-(2-bromoanilino)-2-(3-cyclopropylphenyl)acetic acid (CID 79972022) is 2-(2-bromoanilino)-2-(3-cyclopropylphenyl)acetic acid.
What is the SMILES notation for 2-(2-bromoanilino)-2-(3-cyclopropylphenyl)acetic acid?
The canonical SMILES for 2-(2-bromoanilino)-2-(3-cyclopropylphenyl)acetic acid is O=C(O)C(Nc1ccccc1Br)c1cccc(C2CC2)c1.
What is the InChIKey of 2-(2-bromoanilino)-2-(3-cyclopropylphenyl)acetic acid?
The InChIKey is YFTFYJQLGSWKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c18-14-6-1-2-7-15(14)19-16(17(20)21)13-5-3-4-12(10-13)11-8-9-11/h1-7,10-11,16,19H,8-9H2,(H,20,21).
What are the key properties of 2-(2-bromoanilino)-2-(3-cyclopropylphenyl)acetic acid?
2-(2-bromoanilino)-2-(3-cyclopropylphenyl)acetic acid has a molecular weight of 346.22 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-2-(3-cyclopropylphenyl)acetic acid is sourced from PubChem (CID 79972022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).