methyl 4-[cyclopropylmethyl-(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate

C19H24FNO3 — CID 166372802

IUPACmethyl 4-[cyclopropylmethyl-(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(C(=O)N(CC2CC2)c2cccc(F)c2)CC1
InChIInChI=1S/C19H24FNO3/c1-24-19(23)15-9-7-14(8-10-15)18(22)21(12-13-5-6-13)17-4-2-3-16(20)11-17/h2-4,11,13-15H,5-10,12H2,1H3
InChIKeyLSUFRCCDRVUJJA-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.55
Rot. Bonds5

About methyl 4-[cyclopropylmethyl-(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate

methyl 4-[cyclopropylmethyl-(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate (PubChem CID 166372802) has the molecular formula C19H24FNO3 and a molecular weight of 333.40 g/mol. Its IUPAC name is methyl 4-[cyclopropylmethyl-(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[cyclopropylmethyl-(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate
PubChem CID166372802
Molecular FormulaC19H24FNO3
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Namemethyl 4-[cyclopropylmethyl-(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(C(=O)N(CC2CC2)c2cccc(F)c2)CC1
InChIInChI=1S/C19H24FNO3/c1-24-19(23)15-9-7-14(8-10-15)18(22)21(12-13-5-6-13)17-4-2-3-16(20)11-17/h2-4,11,13-15H,5-10,12H2,1H3
InChIKeyLSUFRCCDRVUJJA-UHFFFAOYSA-N
XLogP3.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclopropylmethyl-(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[cyclopropylmethyl-(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate (CID 166372802) is methyl 4-[cyclopropylmethyl-(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[cyclopropylmethyl-(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[cyclopropylmethyl-(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate is COC(=O)C1CCC(C(=O)N(CC2CC2)c2cccc(F)c2)CC1.
What is the InChIKey of methyl 4-[cyclopropylmethyl-(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate?
The InChIKey is LSUFRCCDRVUJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO3/c1-24-19(23)15-9-7-14(8-10-15)18(22)21(12-13-5-6-13)17-4-2-3-16(20)11-17/h2-4,11,13-15H,5-10,12H2,1H3.
What are the key properties of methyl 4-[cyclopropylmethyl-(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate?
methyl 4-[cyclopropylmethyl-(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate has a molecular weight of 333.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclopropylmethyl-(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 166372802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).