(1R)-6-chloro-N-ethyl-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide

C19H19ClN2O2 — CID 24965263

IUPAC(1R)-6-chloro-N-ethyl-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide
SMILESCCNC(=O)[C@H]1c2cc(Cl)ccc2C(=O)N1C(C)c1ccccc1
InChIInChI=1S/C19H19ClN2O2/c1-3-21-18(23)17-16-11-14(20)9-10-15(16)19(24)22(17)12(2)13-7-5-4-6-8-13/h4-12,17H,3H2,1-2H3,(H,21,23)/t12?,17-/m1/s1
InChIKeyXSAREYWIQKHUKF-RGUGMKFQSA-N
MW342.83 g/mol
LogP3.73
Rot. Bonds4

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

(1R)-6-chloro-N-ethyl-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide (PubChem CID 24965263) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is (1R)-6-chloro-N-ethyl-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name(1R)-6-chloro-N-ethyl-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide
PubChem CID24965263
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name(1R)-6-chloro-N-ethyl-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide
SMILESCCNC(=O)[C@H]1c2cc(Cl)ccc2C(=O)N1C(C)c1ccccc1
InChIInChI=1S/C19H19ClN2O2/c1-3-21-18(23)17-16-11-14(20)9-10-15(16)19(24)22(17)12(2)13-7-5-4-6-8-13/h4-12,17H,3H2,1-2H3,(H,21,23)/t12?,17-/m1/s1
InChIKeyXSAREYWIQKHUKF-RGUGMKFQSA-N
XLogP3.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-methyl-3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindole-1-carboxamide
CID 68771729
(1R)-6-chloro-N-(4,4-difluorobutyl)-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide
CID 24966310
N-tert-butyl-6-chloro-3-oxo-2-[(1R)-1-phenylethyl]-1H-isoindole-1-carboxamide
CID 68774576
6-chloro-2-[(1R)-1-(2-iodophenyl)ethyl]-N-methyl-3-oxo-1H-isoindole-1-carboxamide
CID 68846869
N-tert-butyl-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide
CID 68775440
N-[(2-chlorophenyl)methyl]-3-oxo-2-(1-phenylpropyl)-1H-isoindole-1-carboxamide
CID 68772916
3-(2,4-dichlorophenyl)-2-[(1S)-1-(4-methylphenyl)ethyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 139972520
2-benzhydryl-N-[(2,4-difluorophenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 68771404
N-tert-butyl-2-(1-naphthalen-2-ylethyl)-3-oxo-1H-isoindole-1-carboxamide
CID 68773680
(3R)-3-(N-phenylanilino)-2-[(1R)-1-phenylethyl]-3H-isoindol-1-one
CID 40871712
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide
CID 4799568
3-(N-phenylanilino)-2-(1-phenylethyl)-3H-isoindol-1-one
CID 25246446

Frequently Asked Questions

What is the IUPAC name of (1R)-6-chloro-N-ethyl-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide?
The IUPAC name of (1R)-6-chloro-N-ethyl-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide (CID 24965263) is (1R)-6-chloro-N-ethyl-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide.
What is the SMILES notation for (1R)-6-chloro-N-ethyl-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide?
The canonical SMILES for (1R)-6-chloro-N-ethyl-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide is CCNC(=O)[C@H]1c2cc(Cl)ccc2C(=O)N1C(C)c1ccccc1.
What is the InChIKey of (1R)-6-chloro-N-ethyl-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide?
The InChIKey is XSAREYWIQKHUKF-RGUGMKFQSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-3-21-18(23)17-16-11-14(20)9-10-15(16)19(24)22(17)12(2)13-7-5-4-6-8-13/h4-12,17H,3H2,1-2H3,(H,21,23)/t12?,17-/m1/s1.
What are the key properties of (1R)-6-chloro-N-ethyl-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide?
(1R)-6-chloro-N-ethyl-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-chloro-N-ethyl-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide is sourced from PubChem (CID 24965263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).