5-bromo-2-[(2-cyclopropylacetyl)amino]benzoic acid

C12H12BrNO3 — CID 62074315

IUPAC5-bromo-2-[(2-cyclopropylacetyl)amino]benzoic acid
SMILESO=C(CC1CC1)Nc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C12H12BrNO3/c13-8-3-4-10(9(6-8)12(16)17)14-11(15)5-7-1-2-7/h3-4,6-7H,1-2,5H2,(H,14,15)(H,16,17)
InChIKeyRFFLWIUVGCDXPI-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.89
Rot. Bonds4

About 5-bromo-2-[(2-cyclopropylacetyl)amino]benzoic acid

5-bromo-2-[(2-cyclopropylacetyl)amino]benzoic acid (PubChem CID 62074315) has the molecular formula C12H12BrNO3 and a molecular weight of 298.14 g/mol. Its IUPAC name is 5-bromo-2-[(2-cyclopropylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(2-cyclopropylacetyl)amino]benzoic acid
PubChem CID62074315
Molecular FormulaC12H12BrNO3
Molecular Weight298.14 g/mol
Exact Mass297.00
IUPAC Name5-bromo-2-[(2-cyclopropylacetyl)amino]benzoic acid
SMILESO=C(CC1CC1)Nc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C12H12BrNO3/c13-8-3-4-10(9(6-8)12(16)17)14-11(15)5-7-1-2-7/h3-4,6-7H,1-2,5H2,(H,14,15)(H,16,17)
InChIKeyRFFLWIUVGCDXPI-UHFFFAOYSA-N
XLogP2.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-[[2-(thian-4-yl)acetyl]amino]benzoic acid
CID 83145281
2-[(2-cyclopentylacetyl)amino]-5-iodobenzoic acid
CID 45345832
5-bromo-2-[[2-(ethylamino)acetyl]amino]benzoic acid
CID 55031490
5-bromo-2-(butanoylamino)benzoic acid
CID 12631812
5-bromo-2-(cyclopentanecarbonylamino)benzoic acid
CID 45434105
5-bromo-2-(1-cyclopropylbutan-2-ylcarbamoylamino)benzoic acid
CID 63993787
5-bromo-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 62073503
5-bromo-2-(cycloheptanecarbonylamino)benzoic acid
CID 63405295
2-[(2-cyclopropylacetyl)amino]-4-fluorobenzoic acid
CID 43358568
5-bromo-2-(carbamoylamino)benzoic acid
CID 54593537
N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide
CID 114457942
N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide
CID 43130499

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-cyclopropylacetyl)amino]benzoic acid?
The IUPAC name of 5-bromo-2-[(2-cyclopropylacetyl)amino]benzoic acid (CID 62074315) is 5-bromo-2-[(2-cyclopropylacetyl)amino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(2-cyclopropylacetyl)amino]benzoic acid?
The canonical SMILES for 5-bromo-2-[(2-cyclopropylacetyl)amino]benzoic acid is O=C(CC1CC1)Nc1ccc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-[(2-cyclopropylacetyl)amino]benzoic acid?
The InChIKey is RFFLWIUVGCDXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO3/c13-8-3-4-10(9(6-8)12(16)17)14-11(15)5-7-1-2-7/h3-4,6-7H,1-2,5H2,(H,14,15)(H,16,17).
What are the key properties of 5-bromo-2-[(2-cyclopropylacetyl)amino]benzoic acid?
5-bromo-2-[(2-cyclopropylacetyl)amino]benzoic acid has a molecular weight of 298.14 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-cyclopropylacetyl)amino]benzoic acid is sourced from PubChem (CID 62074315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).