2-[(5-amino-2-bromobenzoyl)amino]-2-cyclohexylacetic acid

C15H19BrN2O3 — CID 115297243

IUPAC2-[(5-amino-2-bromobenzoyl)amino]-2-cyclohexylacetic acid
SMILESNc1ccc(Br)c(C(=O)NC(C(=O)O)C2CCCCC2)c1
InChIInChI=1S/C15H19BrN2O3/c16-12-7-6-10(17)8-11(12)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h6-9,13H,1-5,17H2,(H,18,19)(H,20,21)
InChIKeyFXMNFCZVZFTPAL-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.79
Rot. Bonds4

About 2-[(5-amino-2-bromobenzoyl)amino]-2-cyclohexylacetic acid

2-[(5-amino-2-bromobenzoyl)amino]-2-cyclohexylacetic acid (PubChem CID 115297243) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 2-[(5-amino-2-bromobenzoyl)amino]-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-[(5-amino-2-bromobenzoyl)amino]-2-cyclohexylacetic acid
PubChem CID115297243
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name2-[(5-amino-2-bromobenzoyl)amino]-2-cyclohexylacetic acid
SMILESNc1ccc(Br)c(C(=O)NC(C(=O)O)C2CCCCC2)c1
InChIInChI=1S/C15H19BrN2O3/c16-12-7-6-10(17)8-11(12)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h6-9,13H,1-5,17H2,(H,18,19)(H,20,21)
InChIKeyFXMNFCZVZFTPAL-UHFFFAOYSA-N
XLogP2.79
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(5-bromo-2-hydroxybenzoyl)amino]-2-cyclohexylacetic acid
CID 107729315
2-[(5-bromothiophene-2-carbonyl)amino]-2-cyclohexylacetic acid
CID 54901538
5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 62365234
2-[(3-amino-4-chlorobenzoyl)amino]-2-cyclohexylacetic acid
CID 61159785
2-[(4-amino-3-fluorobenzoyl)amino]-2-cyclohexylacetic acid
CID 63188445
(2R)-2-[(5-amino-2-bromobenzoyl)amino]-4-methylpentanoic acid
CID 115297303
2-[(5-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 115297377
2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide
CID 81002782
5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 107211516
2-[(3-bromo-5-methylbenzoyl)amino]-2-cyclohexylacetic acid
CID 104850715
4-amino-N-[(1R)-1-cyclohexylethyl]-2-fluorobenzamide
CID 94431767
2-cyclohexyl-2-[(3,5-dichlorobenzoyl)amino]acetic acid
CID 61014510

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-bromobenzoyl)amino]-2-cyclohexylacetic acid?
The IUPAC name of 2-[(5-amino-2-bromobenzoyl)amino]-2-cyclohexylacetic acid (CID 115297243) is 2-[(5-amino-2-bromobenzoyl)amino]-2-cyclohexylacetic acid.
What is the SMILES notation for 2-[(5-amino-2-bromobenzoyl)amino]-2-cyclohexylacetic acid?
The canonical SMILES for 2-[(5-amino-2-bromobenzoyl)amino]-2-cyclohexylacetic acid is Nc1ccc(Br)c(C(=O)NC(C(=O)O)C2CCCCC2)c1.
What is the InChIKey of 2-[(5-amino-2-bromobenzoyl)amino]-2-cyclohexylacetic acid?
The InChIKey is FXMNFCZVZFTPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c16-12-7-6-10(17)8-11(12)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h6-9,13H,1-5,17H2,(H,18,19)(H,20,21).
What are the key properties of 2-[(5-amino-2-bromobenzoyl)amino]-2-cyclohexylacetic acid?
2-[(5-amino-2-bromobenzoyl)amino]-2-cyclohexylacetic acid has a molecular weight of 355.23 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-bromobenzoyl)amino]-2-cyclohexylacetic acid is sourced from PubChem (CID 115297243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).