methyl 4-fluoro-2-[(4-propan-2-ylcyclohexyl)amino]benzoate

C17H24FNO2 — CID 63446386

IUPACmethyl 4-fluoro-2-[(4-propan-2-ylcyclohexyl)amino]benzoate
SMILESCOC(=O)c1ccc(F)cc1NC1CCC(C(C)C)CC1
InChIInChI=1S/C17H24FNO2/c1-11(2)12-4-7-14(8-5-12)19-16-10-13(18)6-9-15(16)17(20)21-3/h6,9-12,14,19H,4-5,7-8H2,1-3H3
InChIKeyLJPNYLBACBMCHG-UHFFFAOYSA-N
MW293.38 g/mol
LogP4.24
Rot. Bonds4

About methyl 4-fluoro-2-[(4-propan-2-ylcyclohexyl)amino]benzoate

methyl 4-fluoro-2-[(4-propan-2-ylcyclohexyl)amino]benzoate (PubChem CID 63446386) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is methyl 4-fluoro-2-[(4-propan-2-ylcyclohexyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-2-[(4-propan-2-ylcyclohexyl)amino]benzoate
PubChem CID63446386
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Namemethyl 4-fluoro-2-[(4-propan-2-ylcyclohexyl)amino]benzoate
SMILESCOC(=O)c1ccc(F)cc1NC1CCC(C(C)C)CC1
InChIInChI=1S/C17H24FNO2/c1-11(2)12-4-7-14(8-5-12)19-16-10-13(18)6-9-15(16)17(20)21-3/h6,9-12,14,19H,4-5,7-8H2,1-3H3
InChIKeyLJPNYLBACBMCHG-UHFFFAOYSA-N
XLogP4.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(cyclopropylamino)-5-fluorobenzoate
CID 103439096
methyl 2-[(1,1-dioxothiolan-3-yl)amino]-4-fluorobenzoate
CID 63162524
methyl 5-fluoro-2-(oxan-4-ylamino)benzoate
CID 43735443
N-(2-chloro-5-fluorophenyl)-4-propan-2-ylcycloheptan-1-amine
CID 107527132
methyl 2-[2-(azetidin-3-yl)propanoylamino]-4-fluorobenzoate
CID 116675861
methyl 2-(cyclopropylamino)benzoate
CID 83697867
methyl 2-(cyclopropylamino)-4-nitrobenzoate
CID 142792766
methyl 2-[(3,4-dimethylcyclohexyl)amino]-5-fluorobenzoate
CID 64744221
2-(cyclopentylamino)-4-fluorobenzoic acid
CID 82933177
methyl 5-amino-4-(cyclopropylamino)-2-fluorobenzoate
CID 164554287
methyl 4-fluoro-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzoate
CID 62841436
methyl 4-fluoro-2-[1-(3-fluorophenyl)ethylamino]benzoate
CID 43735257

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-2-[(4-propan-2-ylcyclohexyl)amino]benzoate?
The IUPAC name of methyl 4-fluoro-2-[(4-propan-2-ylcyclohexyl)amino]benzoate (CID 63446386) is methyl 4-fluoro-2-[(4-propan-2-ylcyclohexyl)amino]benzoate.
What is the SMILES notation for methyl 4-fluoro-2-[(4-propan-2-ylcyclohexyl)amino]benzoate?
The canonical SMILES for methyl 4-fluoro-2-[(4-propan-2-ylcyclohexyl)amino]benzoate is COC(=O)c1ccc(F)cc1NC1CCC(C(C)C)CC1.
What is the InChIKey of methyl 4-fluoro-2-[(4-propan-2-ylcyclohexyl)amino]benzoate?
The InChIKey is LJPNYLBACBMCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-11(2)12-4-7-14(8-5-12)19-16-10-13(18)6-9-15(16)17(20)21-3/h6,9-12,14,19H,4-5,7-8H2,1-3H3.
What are the key properties of methyl 4-fluoro-2-[(4-propan-2-ylcyclohexyl)amino]benzoate?
methyl 4-fluoro-2-[(4-propan-2-ylcyclohexyl)amino]benzoate has a molecular weight of 293.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-2-[(4-propan-2-ylcyclohexyl)amino]benzoate is sourced from PubChem (CID 63446386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).