2-cyclohexyloxy-3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]propanoic acid;difluoromethane

C25H30F3NO5 — CID 160771886

IUPAC2-cyclohexyloxy-3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]propanoic acid;difluoromethane
SMILESCOc1ccc(CC(OC2CCCCC2)C(=O)O)cc1C(=O)NCc1ccc(F)cc1.FCF
InChIInChI=1S/C24H28FNO5.CH2F2/c1-30-21-12-9-17(14-22(24(28)29)31-19-5-3-2-4-6-19)13-20(21)23(27)26-15-16-7-10-18(25)11-8-16;2-1-3/h7-13,19,22H,2-6,14-15H2,1H3,(H,26,27)(H,28,29);1H2
InChIKeyRZKRSWZLPHKTQG-UHFFFAOYSA-N
MW481.51 g/mol
LogP4.99
Rot. Bonds9

About 2-cyclohexyloxy-3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]propanoic acid;difluoromethane

2-cyclohexyloxy-3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]propanoic acid;difluoromethane (PubChem CID 160771886) has the molecular formula C25H30F3NO5 and a molecular weight of 481.51 g/mol. Its IUPAC name is 2-cyclohexyloxy-3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]propanoic acid;difluoromethane.

Molecular Properties

Compound Name2-cyclohexyloxy-3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]propanoic acid;difluoromethane
PubChem CID160771886
Molecular FormulaC25H30F3NO5
Molecular Weight481.51 g/mol
Exact Mass481.21
IUPAC Name2-cyclohexyloxy-3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]propanoic acid;difluoromethane
SMILESCOc1ccc(CC(OC2CCCCC2)C(=O)O)cc1C(=O)NCc1ccc(F)cc1.FCF
InChIInChI=1S/C24H28FNO5.CH2F2/c1-30-21-12-9-17(14-22(24(28)29)31-19-5-3-2-4-6-19)13-20(21)23(27)26-15-16-7-10-18(25)11-8-16;2-1-3/h7-13,19,22H,2-6,14-15H2,1H3,(H,26,27)(H,28,29);1H2
InChIKeyRZKRSWZLPHKTQG-UHFFFAOYSA-N
XLogP4.99
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclohexyloxy-3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]propanoic acid;difluoromethane with MolForge

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Related Compounds

3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-hydroxypropanoic acid
CID 20777373
2-[[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]methyl]butanoic acid
CID 20777225
(2S)-3-[3-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]-4-methoxyphenyl]-2-methylpropanoic acid
CID 58031797
methyl 3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-(2,2,2-trifluoroethoxy)propanoate
CID 20777435
ethyl 3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]propanoate
CID 20777423
1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549
4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid
CID 162755933
N-[(4-fluorophenyl)methyl]-2-methoxy-5-[methyl(methylsulfonyl)amino]benzamide
CID 28560777
methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate
CID 18113005
5-[(2R)-2-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]butyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxybenzamide
CID 11520052
4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid
CID 164784378
N-[[4-(4-amino-3-cyclopentylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 166519054

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]propanoic acid;difluoromethane?
The IUPAC name of 2-cyclohexyloxy-3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]propanoic acid;difluoromethane (CID 160771886) is 2-cyclohexyloxy-3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]propanoic acid;difluoromethane.
What is the SMILES notation for 2-cyclohexyloxy-3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]propanoic acid;difluoromethane?
The canonical SMILES for 2-cyclohexyloxy-3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]propanoic acid;difluoromethane is COc1ccc(CC(OC2CCCCC2)C(=O)O)cc1C(=O)NCc1ccc(F)cc1.FCF.
What is the InChIKey of 2-cyclohexyloxy-3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]propanoic acid;difluoromethane?
The InChIKey is RZKRSWZLPHKTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FNO5.CH2F2/c1-30-21-12-9-17(14-22(24(28)29)31-19-5-3-2-4-6-19)13-20(21)23(27)26-15-16-7-10-18(25)11-8-16;2-1-3/h7-13,19,22H,2-6,14-15H2,1H3,(H,26,27)(H,28,29);1H2.
What are the key properties of 2-cyclohexyloxy-3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]propanoic acid;difluoromethane?
2-cyclohexyloxy-3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]propanoic acid;difluoromethane has a molecular weight of 481.51 g/mol, XLogP of 4.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]propanoic acid;difluoromethane is sourced from PubChem (CID 160771886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).