4-(2,5-difluoro-4-morpholin-4-ylanilino)cyclohexane-1-carboxylic acid

C17H22F2N2O3 — CID 122034245

IUPAC4-(2,5-difluoro-4-morpholin-4-ylanilino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2cc(F)c(N3CCOCC3)cc2F)CC1
InChIInChI=1S/C17H22F2N2O3/c18-13-10-16(21-5-7-24-8-6-21)14(19)9-15(13)20-12-3-1-11(2-4-12)17(22)23/h9-12,20H,1-8H2,(H,22,23)
InChIKeyQLEQWGRKFHGJQD-UHFFFAOYSA-N
MW340.37 g/mol
LogP2.86
Rot. Bonds4

About 4-(2,5-difluoro-4-morpholin-4-ylanilino)cyclohexane-1-carboxylic acid

4-(2,5-difluoro-4-morpholin-4-ylanilino)cyclohexane-1-carboxylic acid (PubChem CID 122034245) has the molecular formula C17H22F2N2O3 and a molecular weight of 340.37 g/mol. Its IUPAC name is 4-(2,5-difluoro-4-morpholin-4-ylanilino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2,5-difluoro-4-morpholin-4-ylanilino)cyclohexane-1-carboxylic acid
PubChem CID122034245
Molecular FormulaC17H22F2N2O3
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC Name4-(2,5-difluoro-4-morpholin-4-ylanilino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2cc(F)c(N3CCOCC3)cc2F)CC1
InChIInChI=1S/C17H22F2N2O3/c18-13-10-16(21-5-7-24-8-6-21)14(19)9-15(13)20-12-3-1-11(2-4-12)17(22)23/h9-12,20H,1-8H2,(H,22,23)
InChIKeyQLEQWGRKFHGJQD-UHFFFAOYSA-N
XLogP2.86
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122074142
4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060204
4-[4-fluoro-2-(oxan-4-yloxy)anilino]cyclohexane-1-carboxylic acid
CID 122034174
2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid
CID 119350129
N-(5-fluoro-2-morpholin-4-ylphenyl)oxane-4-carboxamide
CID 113092739
4-[4-(morpholine-4-carbonyl)anilino]cyclohexane-1-carboxylic acid
CID 122033820
1-(3-fluoro-4-morpholin-4-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 119356021
1-[(5-chloro-2-morpholin-4-ylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122013124
(3-fluoro-4-morpholin-4-ylphenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124587947
1-(4-chloro-2-fluorophenyl)piperidine-4-carboxylic acid
CID 156503762
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-fluoro-5-morpholin-4-yl-2-(piperidin-4-ylamino)benzamide
CID 176888794
4-(4-chloro-5-fluoro-2-nitroanilino)cyclohexane-1-carboxylic acid
CID 66078530

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluoro-4-morpholin-4-ylanilino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2,5-difluoro-4-morpholin-4-ylanilino)cyclohexane-1-carboxylic acid (CID 122034245) is 4-(2,5-difluoro-4-morpholin-4-ylanilino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2,5-difluoro-4-morpholin-4-ylanilino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2,5-difluoro-4-morpholin-4-ylanilino)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Nc2cc(F)c(N3CCOCC3)cc2F)CC1.
What is the InChIKey of 4-(2,5-difluoro-4-morpholin-4-ylanilino)cyclohexane-1-carboxylic acid?
The InChIKey is QLEQWGRKFHGJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O3/c18-13-10-16(21-5-7-24-8-6-21)14(19)9-15(13)20-12-3-1-11(2-4-12)17(22)23/h9-12,20H,1-8H2,(H,22,23).
What are the key properties of 4-(2,5-difluoro-4-morpholin-4-ylanilino)cyclohexane-1-carboxylic acid?
4-(2,5-difluoro-4-morpholin-4-ylanilino)cyclohexane-1-carboxylic acid has a molecular weight of 340.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluoro-4-morpholin-4-ylanilino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122034245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).