2-[(4-amino-3-fluorobenzoyl)amino]-2-cyclohexylacetic acid

C15H19FN2O3 — CID 63188445

IUPAC2-[(4-amino-3-fluorobenzoyl)amino]-2-cyclohexylacetic acid
SMILESNc1ccc(C(=O)NC(C(=O)O)C2CCCCC2)cc1F
InChIInChI=1S/C15H19FN2O3/c16-11-8-10(6-7-12(11)17)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)
InChIKeyXABRLZNFZURYIM-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.17
Rot. Bonds4

About 2-[(4-amino-3-fluorobenzoyl)amino]-2-cyclohexylacetic acid

2-[(4-amino-3-fluorobenzoyl)amino]-2-cyclohexylacetic acid (PubChem CID 63188445) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[(4-amino-3-fluorobenzoyl)amino]-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-[(4-amino-3-fluorobenzoyl)amino]-2-cyclohexylacetic acid
PubChem CID63188445
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-[(4-amino-3-fluorobenzoyl)amino]-2-cyclohexylacetic acid
SMILESNc1ccc(C(=O)NC(C(=O)O)C2CCCCC2)cc1F
InChIInChI=1S/C15H19FN2O3/c16-11-8-10(6-7-12(11)17)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)
InChIKeyXABRLZNFZURYIM-UHFFFAOYSA-N
XLogP2.17
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.17
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-[(3-amino-4-chlorobenzoyl)amino]-2-cyclohexylacetic acid
CID 61159785
4-amino-N-[(1S)-1-cyclopentylethyl]-3-fluorobenzamide
CID 81389087
2-cyclohexyl-2-[(3,5-difluorobenzoyl)amino]acetic acid
CID 61014771
4-amino-N-cyclooctyl-3-fluorobenzamide
CID 62679448
2-cyclohexyl-2-[(3,5-dichlorobenzoyl)amino]acetic acid
CID 61014510
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-4-fluoro-3-methylbenzamide
CID 63210336
2-cyclopropyl-2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]acetic acid
CID 119213700
4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide
CID 62680038
2-[(5-amino-2-bromobenzoyl)amino]-2-cyclohexylacetic acid
CID 115297243
2-[(3-aminopyridine-2-carbonyl)amino]-2-cyclohexylacetic acid
CID 104741907
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 55251408

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-fluorobenzoyl)amino]-2-cyclohexylacetic acid?
The IUPAC name of 2-[(4-amino-3-fluorobenzoyl)amino]-2-cyclohexylacetic acid (CID 63188445) is 2-[(4-amino-3-fluorobenzoyl)amino]-2-cyclohexylacetic acid.
What is the SMILES notation for 2-[(4-amino-3-fluorobenzoyl)amino]-2-cyclohexylacetic acid?
The canonical SMILES for 2-[(4-amino-3-fluorobenzoyl)amino]-2-cyclohexylacetic acid is Nc1ccc(C(=O)NC(C(=O)O)C2CCCCC2)cc1F.
What is the InChIKey of 2-[(4-amino-3-fluorobenzoyl)amino]-2-cyclohexylacetic acid?
The InChIKey is XABRLZNFZURYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-11-8-10(6-7-12(11)17)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-[(4-amino-3-fluorobenzoyl)amino]-2-cyclohexylacetic acid?
2-[(4-amino-3-fluorobenzoyl)amino]-2-cyclohexylacetic acid has a molecular weight of 294.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-fluorobenzoyl)amino]-2-cyclohexylacetic acid is sourced from PubChem (CID 63188445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).