5-(4-bromoanilino)hexanoic acid

C12H16BrNO2 — CID 155388105

IUPAC5-(4-bromoanilino)hexanoic acid
SMILESCC(CCCC(=O)O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-9(3-2-4-12(15)16)14-11-7-5-10(13)6-8-11/h5-9,14H,2-4H2,1H3,(H,15,16)
InChIKeyDGWGJHZGUJYNDU-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.50
Rot. Bonds6

About 5-(4-bromoanilino)hexanoic acid

5-(4-bromoanilino)hexanoic acid (PubChem CID 155388105) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-(4-bromoanilino)hexanoic acid.

Molecular Properties

Compound Name5-(4-bromoanilino)hexanoic acid
PubChem CID155388105
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name5-(4-bromoanilino)hexanoic acid
SMILESCC(CCCC(=O)O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-9(3-2-4-12(15)16)14-11-7-5-10(13)6-8-11/h5-9,14H,2-4H2,1H3,(H,15,16)
InChIKeyDGWGJHZGUJYNDU-UHFFFAOYSA-N
XLogP3.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-bromophenyl)carbamoylamino]hexanoic acid
CID 82846118
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid
CID 82855023
5-(2-bromo-4-cyanoanilino)hexanoic acid
CID 82847009
5-[[2-(3-bromophenyl)acetyl]amino]hexanoic acid
CID 82854620
5-[(4-propan-2-ylphenyl)carbamoylamino]hexanoic acid
CID 82847921
2-(4-bromoanilino)-3-ethylpentanoic acid
CID 61318709
(2S)-2-(4-bromoanilino)pentanoic acid
CID 40788491
5-amino-N-(4-bromophenyl)hexanamide
CID 82848125
2-bromo-4-(5-hydroxypentan-2-ylamino)benzoic acid
CID 107282200
2-(4-bromoanilino)octanoic acid
CID 55223557
5-[(2-amino-2-phenylacetyl)amino]hexanoic acid
CID 82845613

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromoanilino)hexanoic acid?
The IUPAC name of 5-(4-bromoanilino)hexanoic acid (CID 155388105) is 5-(4-bromoanilino)hexanoic acid.
What is the SMILES notation for 5-(4-bromoanilino)hexanoic acid?
The canonical SMILES for 5-(4-bromoanilino)hexanoic acid is CC(CCCC(=O)O)Nc1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromoanilino)hexanoic acid?
The InChIKey is DGWGJHZGUJYNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9(3-2-4-12(15)16)14-11-7-5-10(13)6-8-11/h5-9,14H,2-4H2,1H3,(H,15,16).
What are the key properties of 5-(4-bromoanilino)hexanoic acid?
5-(4-bromoanilino)hexanoic acid has a molecular weight of 286.17 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromoanilino)hexanoic acid is sourced from PubChem (CID 155388105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).