4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid

C15H18FNO3 — CID 60808861

IUPAC4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cc1cccc(F)c1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H18FNO3/c16-12-3-1-2-10(8-12)9-14(18)17-13-6-4-11(5-7-13)15(19)20/h1-3,8,11,13H,4-7,9H2,(H,17,18)(H,19,20)
InChIKeyHINWETKRZBSZIQ-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.13
Rot. Bonds4

About 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 60808861) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID60808861
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cc1cccc(F)c1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H18FNO3/c16-12-3-1-2-10(8-12)9-14(18)17-13-6-4-11(5-7-13)15(19)20/h1-3,8,11,13H,4-7,9H2,(H,17,18)(H,19,20)
InChIKeyHINWETKRZBSZIQ-UHFFFAOYSA-N
XLogP2.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide
CID 114296854
methyl 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 115617162
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047
N-(4-aminocyclohexyl)-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119260253
4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229628
4-[[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024382
4-[[4-[(3-fluorophenyl)methyl]-3-oxopiperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023384
4-[[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023830
4-[3-(2,4-difluorophenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 162632420
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]propanamide
CID 110822825
4-[[4-[(3-fluorophenyl)methyl]oxan-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122024702
N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide
CID 51240347

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 60808861) is 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(Cc1cccc(F)c1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is HINWETKRZBSZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c16-12-3-1-2-10(8-12)9-14(18)17-13-6-4-11(5-7-13)15(19)20/h1-3,8,11,13H,4-7,9H2,(H,17,18)(H,19,20).
What are the key properties of 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60808861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).