methyl 4-fluoro-5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate

C19H26FNO4 — CID 59569067

IUPACmethyl 4-fluoro-5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate
SMILESCOC(=O)c1cc(O)c(F)cc1N(C(=O)C1CCC(C)CC1)C(C)C
InChIInChI=1S/C19H26FNO4/c1-11(2)21(18(23)13-7-5-12(3)6-8-13)16-10-15(20)17(22)9-14(16)19(24)25-4/h9-13,22H,5-8H2,1-4H3
InChIKeyNQHHPPBOTOPCEL-UHFFFAOYSA-N
MW351.42 g/mol
LogP3.89
Rot. Bonds4

About methyl 4-fluoro-5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate

methyl 4-fluoro-5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate (PubChem CID 59569067) has the molecular formula C19H26FNO4 and a molecular weight of 351.42 g/mol. Its IUPAC name is methyl 4-fluoro-5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate
PubChem CID59569067
Molecular FormulaC19H26FNO4
Molecular Weight351.42 g/mol
Exact Mass351.18
IUPAC Namemethyl 4-fluoro-5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate
SMILESCOC(=O)c1cc(O)c(F)cc1N(C(=O)C1CCC(C)CC1)C(C)C
InChIInChI=1S/C19H26FNO4/c1-11(2)21(18(23)13-7-5-12(3)6-8-13)16-10-15(20)17(22)9-14(16)19(24)25-4/h9-13,22H,5-8H2,1-4H3
InChIKeyNQHHPPBOTOPCEL-UHFFFAOYSA-N
XLogP3.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methyl 5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate
CID 143518887
methyl 2-[cyclohexanecarbonyl(1,3-dimethoxypropan-2-yl)amino]-4-fluoro-5-hydroxybenzoate
CID 70999461
2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-hydroxybenzoic acid;2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-methylbenzoic acid
CID 123663849
methyl 5-boranyl-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-2-carboxylate
CID 145493279
methyl 2-[1,3-dimethoxypropan-2-yl-[hydroxy-(4-methylcyclohexyl)methyl]amino]-4-fluoro-5-hydroxybenzoate
CID 143819335
ethane;methyl 5-[4-(aminomethyl)-2-(trifluoromethyl)phenoxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate
CID 143518797
methyl 2-[bicyclo[5.2.0]nonane-4-carbonyl(propan-2-yl)amino]-8-formyldibenzofuran-3-carboxylate
CID 87413472
2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-4-phenoxybenzoic acid
CID 72725125
methyl 2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-[4-(morpholin-4-ylmethyl)-2-(trifluoromethyl)phenoxy]benzoate
CID 58970033
methyl 2-[1,3-dimethoxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-[[5-formyl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
CID 58115775
4-fluoro-2-nitrobenzoic acid;3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]dibenzofuran-2-carboxylic acid;methyl 4-fluoro-2-nitrobenzoate
CID 158445872
2-[(4-ethylcyclohexyl)-(4-methylcyclohexanecarbonyl)amino]-4-fluoro-5-hydroxybenzoic acid
CID 163806284

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate?
The IUPAC name of methyl 4-fluoro-5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate (CID 59569067) is methyl 4-fluoro-5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate.
What is the SMILES notation for methyl 4-fluoro-5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate?
The canonical SMILES for methyl 4-fluoro-5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate is COC(=O)c1cc(O)c(F)cc1N(C(=O)C1CCC(C)CC1)C(C)C.
What is the InChIKey of methyl 4-fluoro-5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate?
The InChIKey is NQHHPPBOTOPCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO4/c1-11(2)21(18(23)13-7-5-12(3)6-8-13)16-10-15(20)17(22)9-14(16)19(24)25-4/h9-13,22H,5-8H2,1-4H3.
What are the key properties of methyl 4-fluoro-5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate?
methyl 4-fluoro-5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate has a molecular weight of 351.42 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-5-hydroxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate is sourced from PubChem (CID 59569067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).