4-chloro-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]benzamide

C20H19ClN2O3 — CID 41025293

IUPAC4-chloro-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]benzamide
SMILESCC[C@]1(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C20H19ClN2O3/c1-2-20(12-11-17(24)23-19(20)26)14-5-9-16(10-6-14)22-18(25)13-3-7-15(21)8-4-13/h3-10H,2,11-12H2,1H3,(H,22,25)(H,23,24,26)/t20-/m1/s1
InChIKeyQNWYQGIHZUHMMU-HXUWFJFHSA-N
MW370.84 g/mol
LogP3.68
Rot. Bonds4

About 4-chloro-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]benzamide

4-chloro-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]benzamide (PubChem CID 41025293) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 4-chloro-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]benzamide
PubChem CID41025293
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name4-chloro-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]benzamide
SMILESCC[C@]1(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C20H19ClN2O3/c1-2-20(12-11-17(24)23-19(20)26)14-5-9-16(10-6-14)22-18(25)13-3-7-15(21)8-4-13/h3-10H,2,11-12H2,1H3,(H,22,25)(H,23,24,26)/t20-/m1/s1
InChIKeyQNWYQGIHZUHMMU-HXUWFJFHSA-N
XLogP3.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 60570520
N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide
CID 94533339
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-4-imidazol-1-ylbenzamide
CID 60570571
5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-1-benzofuran-2-carboxamide
CID 41062159
N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2,6-dimethoxybenzamide
CID 40946988
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167747058
iodomethyl N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]carbamate
CID 146489185
5-bromo-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3-thiazole-2-carboxamide
CID 86807048
3-(3,4-dichlorophenyl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]prop-2-enamide
CID 76869654
3-(cyclopropylsulfamoyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methoxybenzamide
CID 52909973
cis-(1R,2S)-2-(2-chloro-6-fluorophenyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]cyclopropane-1-carboxamide
CID 99810327
dimethyl (E)-2-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)anilino]but-2-enedioate
CID 168566996

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]benzamide (CID 41025293) is 4-chloro-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]benzamide is CC[C@]1(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CCC(=O)NC1=O.
What is the InChIKey of 4-chloro-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]benzamide?
The InChIKey is QNWYQGIHZUHMMU-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-2-20(12-11-17(24)23-19(20)26)14-5-9-16(10-6-14)22-18(25)13-3-7-15(21)8-4-13/h3-10H,2,11-12H2,1H3,(H,22,25)(H,23,24,26)/t20-/m1/s1.
What are the key properties of 4-chloro-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]benzamide?
4-chloro-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]benzamide has a molecular weight of 370.84 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]benzamide is sourced from PubChem (CID 41025293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).