2-[3-[[1-[(4-fluorophenyl)methyl]cyclohexyl]carbamoyl]cyclobutyl]acetic acid

C20H26FNO3 — CID 166292539

IUPAC2-[3-[[1-[(4-fluorophenyl)methyl]cyclohexyl]carbamoyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1CC(C(=O)NC2(Cc3ccc(F)cc3)CCCCC2)C1
InChIInChI=1S/C20H26FNO3/c21-17-6-4-14(5-7-17)13-20(8-2-1-3-9-20)22-19(25)16-10-15(11-16)12-18(23)24/h4-7,15-16H,1-3,8-13H2,(H,22,25)(H,23,24)
InChIKeyHNDAJRQUAASUID-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.69
Rot. Bonds6

About 2-[3-[[1-[(4-fluorophenyl)methyl]cyclohexyl]carbamoyl]cyclobutyl]acetic acid

2-[3-[[1-[(4-fluorophenyl)methyl]cyclohexyl]carbamoyl]cyclobutyl]acetic acid (PubChem CID 166292539) has the molecular formula C20H26FNO3 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-[3-[[1-[(4-fluorophenyl)methyl]cyclohexyl]carbamoyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[1-[(4-fluorophenyl)methyl]cyclohexyl]carbamoyl]cyclobutyl]acetic acid
PubChem CID166292539
Molecular FormulaC20H26FNO3
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name2-[3-[[1-[(4-fluorophenyl)methyl]cyclohexyl]carbamoyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1CC(C(=O)NC2(Cc3ccc(F)cc3)CCCCC2)C1
InChIInChI=1S/C20H26FNO3/c21-17-6-4-14(5-7-17)13-20(8-2-1-3-9-20)22-19(25)16-10-15(11-16)12-18(23)24/h4-7,15-16H,1-3,8-13H2,(H,22,25)(H,23,24)
InChIKeyHNDAJRQUAASUID-UHFFFAOYSA-N
XLogP3.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[[4-(4-fluorophenoxy)phenyl]carbamoyl]cyclobutyl]acetic acid
CID 166292476
cis-(1R,3S)-3-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 155957159
N-(1-benzylcyclohexyl)-2-phenylacetamide
CID 84509764
(1S)-N-(1-benzylcyclohexyl)-3-oxo-1,2-dihydroisoindole-1-carboxamide
CID 68882774
(1-benzylcyclopentyl)urea
CID 86790395
2-[1-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]cyclohexyl]acetic acid
CID 91766497
1-fluoro-4-[(1-fluorocyclopentyl)methyl]benzene
CID 84720734
2-[1-[(4-fluorophenyl)methylsulfonylamino]cyclobutyl]acetic acid
CID 79845804
N-[1-(hydroxymethyl)cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106893203
2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid
CID 65019610
N-[1-(4-fluorophenyl)cyclobutyl]cyclopropanecarboxamide
CID 47408173
1-[(4-fluorophenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097119

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-[(4-fluorophenyl)methyl]cyclohexyl]carbamoyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[3-[[1-[(4-fluorophenyl)methyl]cyclohexyl]carbamoyl]cyclobutyl]acetic acid (CID 166292539) is 2-[3-[[1-[(4-fluorophenyl)methyl]cyclohexyl]carbamoyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[3-[[1-[(4-fluorophenyl)methyl]cyclohexyl]carbamoyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[3-[[1-[(4-fluorophenyl)methyl]cyclohexyl]carbamoyl]cyclobutyl]acetic acid is O=C(O)CC1CC(C(=O)NC2(Cc3ccc(F)cc3)CCCCC2)C1.
What is the InChIKey of 2-[3-[[1-[(4-fluorophenyl)methyl]cyclohexyl]carbamoyl]cyclobutyl]acetic acid?
The InChIKey is HNDAJRQUAASUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO3/c21-17-6-4-14(5-7-17)13-20(8-2-1-3-9-20)22-19(25)16-10-15(11-16)12-18(23)24/h4-7,15-16H,1-3,8-13H2,(H,22,25)(H,23,24).
What are the key properties of 2-[3-[[1-[(4-fluorophenyl)methyl]cyclohexyl]carbamoyl]cyclobutyl]acetic acid?
2-[3-[[1-[(4-fluorophenyl)methyl]cyclohexyl]carbamoyl]cyclobutyl]acetic acid has a molecular weight of 347.43 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-[(4-fluorophenyl)methyl]cyclohexyl]carbamoyl]cyclobutyl]acetic acid is sourced from PubChem (CID 166292539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).