2-[2-[3-[(4-fluorophenyl)methoxy]phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid

C23H26FNO4 — CID 20990188

IUPAC2-[2-[3-[(4-fluorophenyl)methoxy]phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCCc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C23H26FNO4/c24-18-10-8-17(9-11-18)15-29-19-5-3-4-16(14-19)12-13-25-22(26)20-6-1-2-7-21(20)23(27)28/h3-5,8-11,14,20-21H,1-2,6-7,12-13,15H2,(H,25,26)(H,27,28)
InChIKeyXFSKOYRXGZDZCB-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.95
Rot. Bonds8

About 2-[2-[3-[(4-fluorophenyl)methoxy]phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid

2-[2-[3-[(4-fluorophenyl)methoxy]phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 20990188) has the molecular formula C23H26FNO4 and a molecular weight of 399.46 g/mol. Its IUPAC name is 2-[2-[3-[(4-fluorophenyl)methoxy]phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[3-[(4-fluorophenyl)methoxy]phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID20990188
Molecular FormulaC23H26FNO4
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name2-[2-[3-[(4-fluorophenyl)methoxy]phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCCc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C23H26FNO4/c24-18-10-8-17(9-11-18)15-29-19-5-3-4-16(14-19)12-13-25-22(26)20-6-1-2-7-21(20)23(27)28/h3-5,8-11,14,20-21H,1-2,6-7,12-13,15H2,(H,25,26)(H,27,28)
InChIKeyXFSKOYRXGZDZCB-UHFFFAOYSA-N
XLogP3.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[3-[(4-fluorophenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 20986012
trans-(1R,2R)-2-(2-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 795950
cis-(1S,2R)-2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 898467
(2S,4S)-2-methyl-N-[2-(3-phenylmethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120640817
2-[2-[4-(3-methylphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 20992942
2-[2-[4-(3-methoxyphenoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 20984831
cis-(1R,2S)-2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 887867
2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 2933604
2-[2-(4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22687528
2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974491
cis-(1S,2R)-2-[2-(4-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 1265526
2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792833

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(4-fluorophenyl)methoxy]phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[2-[3-[(4-fluorophenyl)methoxy]phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 20990188) is 2-[2-[3-[(4-fluorophenyl)methoxy]phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[2-[3-[(4-fluorophenyl)methoxy]phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[2-[3-[(4-fluorophenyl)methoxy]phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)NCCc1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of 2-[2-[3-[(4-fluorophenyl)methoxy]phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is XFSKOYRXGZDZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO4/c24-18-10-8-17(9-11-18)15-29-19-5-3-4-16(14-19)12-13-25-22(26)20-6-1-2-7-21(20)23(27)28/h3-5,8-11,14,20-21H,1-2,6-7,12-13,15H2,(H,25,26)(H,27,28).
What are the key properties of 2-[2-[3-[(4-fluorophenyl)methoxy]phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[2-[3-[(4-fluorophenyl)methoxy]phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 399.46 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(4-fluorophenyl)methoxy]phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 20990188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).