2-cyclohexyl-2-[(3,5-difluorobenzoyl)amino]acetic acid

C15H17F2NO3 — CID 61014771

IUPAC2-cyclohexyl-2-[(3,5-difluorobenzoyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CCCCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H17F2NO3/c16-11-6-10(7-12(17)8-11)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h6-9,13H,1-5H2,(H,18,19)(H,20,21)
InChIKeyXRRVDODKWSYFPF-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.73
Rot. Bonds4

About 2-cyclohexyl-2-[(3,5-difluorobenzoyl)amino]acetic acid

2-cyclohexyl-2-[(3,5-difluorobenzoyl)amino]acetic acid (PubChem CID 61014771) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(3,5-difluorobenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(3,5-difluorobenzoyl)amino]acetic acid
PubChem CID61014771
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name2-cyclohexyl-2-[(3,5-difluorobenzoyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CCCCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H17F2NO3/c16-11-6-10(7-12(17)8-11)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h6-9,13H,1-5H2,(H,18,19)(H,20,21)
InChIKeyXRRVDODKWSYFPF-UHFFFAOYSA-N
XLogP2.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2-[(3,5-dichlorobenzoyl)amino]acetic acid
CID 61014510
2-[(4-amino-3-fluorobenzoyl)amino]-2-cyclohexylacetic acid
CID 63188445
2-[(3-bromo-5-methylbenzoyl)amino]-2-cyclohexylacetic acid
CID 104850715
2-[(3-amino-4-chlorobenzoyl)amino]-2-cyclohexylacetic acid
CID 61159785
2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid
CID 107971371
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
N-[(2E)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-5-fluoropyridine-3-carboxamide
CID 104786341
N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-3,5-difluorobenzamide
CID 86796436
2-[(5-bromo-2-hydroxybenzoyl)amino]-2-cyclohexylacetic acid
CID 107729315
2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547872
2-[(3,5-dimethylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547871
2-[(5-amino-2-bromobenzoyl)amino]-2-cyclohexylacetic acid
CID 115297243

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(3,5-difluorobenzoyl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(3,5-difluorobenzoyl)amino]acetic acid (CID 61014771) is 2-cyclohexyl-2-[(3,5-difluorobenzoyl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(3,5-difluorobenzoyl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(3,5-difluorobenzoyl)amino]acetic acid is O=C(NC(C(=O)O)C1CCCCC1)c1cc(F)cc(F)c1.
What is the InChIKey of 2-cyclohexyl-2-[(3,5-difluorobenzoyl)amino]acetic acid?
The InChIKey is XRRVDODKWSYFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c16-11-6-10(7-12(17)8-11)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h6-9,13H,1-5H2,(H,18,19)(H,20,21).
What are the key properties of 2-cyclohexyl-2-[(3,5-difluorobenzoyl)amino]acetic acid?
2-cyclohexyl-2-[(3,5-difluorobenzoyl)amino]acetic acid has a molecular weight of 297.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(3,5-difluorobenzoyl)amino]acetic acid is sourced from PubChem (CID 61014771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).