6-chloro-N-methyl-3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindole-1-carboxamide

C18H17ClN2O2 — CID 68771729

IUPAC6-chloro-N-methyl-3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindole-1-carboxamide
SMILESCNC(=O)C1c2cc(Cl)ccc2C(=O)N1[C@H](C)c1ccccc1
InChIInChI=1S/C18H17ClN2O2/c1-11(12-6-4-3-5-7-12)21-16(17(22)20-2)15-10-13(19)8-9-14(15)18(21)23/h3-11,16H,1-2H3,(H,20,22)/t11-,16?/m1/s1
InChIKeyKNSNWXAFPCZVOV-ZVDHGWRTSA-N
MW328.80 g/mol
LogP3.34
Rot. Bonds3

About 6-chloro-N-methyl-3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindole-1-carboxamide

6-chloro-N-methyl-3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindole-1-carboxamide (PubChem CID 68771729) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 6-chloro-N-methyl-3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindole-1-carboxamide
PubChem CID68771729
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name6-chloro-N-methyl-3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindole-1-carboxamide
SMILESCNC(=O)C1c2cc(Cl)ccc2C(=O)N1[C@H](C)c1ccccc1
InChIInChI=1S/C18H17ClN2O2/c1-11(12-6-4-3-5-7-12)21-16(17(22)20-2)15-10-13(19)8-9-14(15)18(21)23/h3-11,16H,1-2H3,(H,20,22)/t11-,16?/m1/s1
InChIKeyKNSNWXAFPCZVOV-ZVDHGWRTSA-N
XLogP3.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindole-1-carboxamide?
The IUPAC name of 6-chloro-N-methyl-3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindole-1-carboxamide (CID 68771729) is 6-chloro-N-methyl-3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindole-1-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindole-1-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindole-1-carboxamide is CNC(=O)C1c2cc(Cl)ccc2C(=O)N1[C@H](C)c1ccccc1.
What is the InChIKey of 6-chloro-N-methyl-3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindole-1-carboxamide?
The InChIKey is KNSNWXAFPCZVOV-ZVDHGWRTSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11(12-6-4-3-5-7-12)21-16(17(22)20-2)15-10-13(19)8-9-14(15)18(21)23/h3-11,16H,1-2H3,(H,20,22)/t11-,16?/m1/s1.
What are the key properties of 6-chloro-N-methyl-3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindole-1-carboxamide?
6-chloro-N-methyl-3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindole-1-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindole-1-carboxamide is sourced from PubChem (CID 68771729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).