N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide

C22H24ClN3O3 — CID 34949059

IUPACN-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCCN(CC)[C@H](CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1Cl
InChIInChI=1S/C22H24ClN3O3/c1-4-26(5-2)19(16-8-6-7-9-18(16)23)13-24-20(27)14-10-11-15-17(12-14)22(29)25(3)21(15)28/h6-12,19H,4-5,13H2,1-3H3,(H,24,27)/t19-/m1/s1
InChIKeySZBNBAMHPRWBPA-LJQANCHMSA-N
MW413.91 g/mol
LogP3.38
Rot. Bonds7

About N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide

N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 34949059) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID34949059
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC NameN-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCCN(CC)[C@H](CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1Cl
InChIInChI=1S/C22H24ClN3O3/c1-4-26(5-2)19(16-8-6-7-9-18(16)23)13-24-20(27)14-10-11-15-17(12-14)22(29)25(3)21(15)28/h6-12,19H,4-5,13H2,1-3H3,(H,24,27)/t19-/m1/s1
InChIKeySZBNBAMHPRWBPA-LJQANCHMSA-N
XLogP3.38
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]benzamide
CID 18280256
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide
CID 18161543
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybenzamide
CID 42279457
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(1,3-oxazol-5-yl)benzamide
CID 55836198
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylsulfinylbenzamide
CID 86930265
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(difluoromethylsulfanyl)benzamide
CID 18269959
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2H-triazole-4-carboxamide
CID 51595080
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 47051734
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide
CID 34948840
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43019792
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrazine-2-carboxamide
CID 30524608
N-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 78773962

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide (CID 34949059) is N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide is CCN(CC)[C@H](CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1Cl.
What is the InChIKey of N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is SZBNBAMHPRWBPA-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-4-26(5-2)19(16-8-6-7-9-18(16)23)13-24-20(27)14-10-11-15-17(12-14)22(29)25(3)21(15)28/h6-12,19H,4-5,13H2,1-3H3,(H,24,27)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 413.91 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 34949059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).