methyl 4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]carbamoyl]benzoate

C18H18ClNO4 — CID 99592855

IUPACmethyl 4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NC[C@H](OC)c2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClNO4/c1-23-16(14-5-3-4-6-15(14)19)11-20-17(21)12-7-9-13(10-8-12)18(22)24-2/h3-10,16H,11H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyRTXXZLMXXACBSA-INIZCTEOSA-N
MW347.80 g/mol
LogP3.24
Rot. Bonds6

About methyl 4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]carbamoyl]benzoate

methyl 4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]carbamoyl]benzoate (PubChem CID 99592855) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is methyl 4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]carbamoyl]benzoate
PubChem CID99592855
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Namemethyl 4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NC[C@H](OC)c2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClNO4/c1-23-16(14-5-3-4-6-15(14)19)11-20-17(21)12-7-9-13(10-8-12)18(22)24-2/h3-10,16H,11H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyRTXXZLMXXACBSA-INIZCTEOSA-N
XLogP3.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]carbamoyl]benzoate (CID 99592855) is methyl 4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)NC[C@H](OC)c2ccccc2Cl)cc1.
What is the InChIKey of methyl 4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]carbamoyl]benzoate?
The InChIKey is RTXXZLMXXACBSA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-23-16(14-5-3-4-6-15(14)19)11-20-17(21)12-7-9-13(10-8-12)18(22)24-2/h3-10,16H,11H2,1-2H3,(H,20,21)/t16-/m0/s1.
What are the key properties of methyl 4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]carbamoyl]benzoate?
methyl 4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]carbamoyl]benzoate has a molecular weight of 347.80 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]carbamoyl]benzoate is sourced from PubChem (CID 99592855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).