methyl 1-benzamido-2-phenylcyclopropane-1-carboxylate

C18H17NO3 — CID 13045392

IUPACmethyl 1-benzamido-2-phenylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C18H17NO3/c1-22-17(21)18(12-15(18)13-8-4-2-5-9-13)19-16(20)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,19,20)
InChIKeyLGIDKESKAMWAIV-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.52
Rot. Bonds4

About methyl 1-benzamido-2-phenylcyclopropane-1-carboxylate

methyl 1-benzamido-2-phenylcyclopropane-1-carboxylate (PubChem CID 13045392) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 1-benzamido-2-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzamido-2-phenylcyclopropane-1-carboxylate
PubChem CID13045392
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namemethyl 1-benzamido-2-phenylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C18H17NO3/c1-22-17(21)18(12-15(18)13-8-4-2-5-9-13)19-16(20)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,19,20)
InChIKeyLGIDKESKAMWAIV-UHFFFAOYSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-benzamido-2-phenylcyclopropane-1-carboxylate?
The IUPAC name of methyl 1-benzamido-2-phenylcyclopropane-1-carboxylate (CID 13045392) is methyl 1-benzamido-2-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-benzamido-2-phenylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-benzamido-2-phenylcyclopropane-1-carboxylate is COC(=O)C1(NC(=O)c2ccccc2)CC1c1ccccc1.
What is the InChIKey of methyl 1-benzamido-2-phenylcyclopropane-1-carboxylate?
The InChIKey is LGIDKESKAMWAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-22-17(21)18(12-15(18)13-8-4-2-5-9-13)19-16(20)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,19,20).
What are the key properties of methyl 1-benzamido-2-phenylcyclopropane-1-carboxylate?
methyl 1-benzamido-2-phenylcyclopropane-1-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzamido-2-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 13045392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).