methyl 2,6-dichloro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate

C17H15Cl2NO3 — CID 166506945

IUPACmethyl 2,6-dichloro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate
SMILESCOC(=O)c1c(Cl)cc(C(=O)N[C@H](C)c2ccccc2)cc1Cl
InChIInChI=1S/C17H15Cl2NO3/c1-10(11-6-4-3-5-7-11)20-16(21)12-8-13(18)15(14(19)9-12)17(22)23-2/h3-10H,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeyNQQKCOANXBFXQF-SNVBAGLBSA-N
MW352.22 g/mol
LogP4.27
Rot. Bonds4

About methyl 2,6-dichloro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate

methyl 2,6-dichloro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate (PubChem CID 166506945) has the molecular formula C17H15Cl2NO3 and a molecular weight of 352.22 g/mol. Its IUPAC name is methyl 2,6-dichloro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2,6-dichloro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate
PubChem CID166506945
Molecular FormulaC17H15Cl2NO3
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Namemethyl 2,6-dichloro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate
SMILESCOC(=O)c1c(Cl)cc(C(=O)N[C@H](C)c2ccccc2)cc1Cl
InChIInChI=1S/C17H15Cl2NO3/c1-10(11-6-4-3-5-7-11)20-16(21)12-8-13(18)15(14(19)9-12)17(22)23-2/h3-10H,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeyNQQKCOANXBFXQF-SNVBAGLBSA-N
XLogP4.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-4-methoxy-N-[(1R)-1-phenylethyl]benzamide
CID 9033034
methyl 2,6-difluoro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate
CID 151768789
3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 2557457
3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide
CID 59803164
3,6-dichloro-2-methoxy-N-(1-phenylethyl)benzamide
CID 2788458
5-(1-phenylethylcarbamoyl)benzene-1,3-dicarboxylic acid;sulfanylidenephosphane
CID 159120234
methyl 3-methylsulfonyloxy-5-(1-phenylethylcarbamoyl)benzoate
CID 91468652
methyl 3-(methylcarbamoylamino)-5-[[(1R)-1-phenylethyl]carbamoyl]benzoate
CID 59298009
2-chloro-6-hydrazinyl-N-(1-phenylethyl)pyridine-4-carboxamide
CID 62248298
3,4,5-trifluoro-N-(1-phenylethyl)benzamide
CID 63188112
6-chloro-N-(1-phenylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 46672343
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 793526

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-dichloro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate?
The IUPAC name of methyl 2,6-dichloro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate (CID 166506945) is methyl 2,6-dichloro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 2,6-dichloro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate?
The canonical SMILES for methyl 2,6-dichloro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate is COC(=O)c1c(Cl)cc(C(=O)N[C@H](C)c2ccccc2)cc1Cl.
What is the InChIKey of methyl 2,6-dichloro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate?
The InChIKey is NQQKCOANXBFXQF-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15Cl2NO3/c1-10(11-6-4-3-5-7-11)20-16(21)12-8-13(18)15(14(19)9-12)17(22)23-2/h3-10H,1-2H3,(H,20,21)/t10-/m1/s1.
What are the key properties of methyl 2,6-dichloro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate?
methyl 2,6-dichloro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate has a molecular weight of 352.22 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-dichloro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate is sourced from PubChem (CID 166506945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).