N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethoxybenzamide

C19H17ClN2O5 — CID 113082038

IUPACN-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCN2C(=O)c3cccc(Cl)c3C2=O)c1
InChIInChI=1S/C19H17ClN2O5/c1-26-12-8-11(9-13(10-12)27-2)17(23)21-6-7-22-18(24)14-4-3-5-15(20)16(14)19(22)25/h3-5,8-10H,6-7H2,1-2H3,(H,21,23)
InChIKeyMTKKEPVZFSXZRJ-UHFFFAOYSA-N
MW388.81 g/mol
LogP2.38
Rot. Bonds6

About N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethoxybenzamide

N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethoxybenzamide (PubChem CID 113082038) has the molecular formula C19H17ClN2O5 and a molecular weight of 388.81 g/mol. Its IUPAC name is N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethoxybenzamide
PubChem CID113082038
Molecular FormulaC19H17ClN2O5
Molecular Weight388.81 g/mol
Exact Mass388.08
IUPAC NameN-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCN2C(=O)c3cccc(Cl)c3C2=O)c1
InChIInChI=1S/C19H17ClN2O5/c1-26-12-8-11(9-13(10-12)27-2)17(23)21-6-7-22-18(24)14-4-3-5-15(20)16(14)19(22)25/h3-5,8-10H,6-7H2,1-2H3,(H,21,23)
InChIKeyMTKKEPVZFSXZRJ-UHFFFAOYSA-N
XLogP2.38
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 113082064
N-butyl-3-(4-chloro-1,3-dioxoisoindol-2-yl)propanamide
CID 113202097
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-propylacetamide
CID 113201263
N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 881091
2-(4-chloro-1,3-dioxoisoindol-2-yl)acetic acid
CID 117031849
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-4-methoxybenzamide
CID 108537858
N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113082264
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 113082138
2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide
CID 7354272
(2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 112694085
2-ethyl-N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]butanamide
CID 113082330

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethoxybenzamide (CID 113082038) is N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCN2C(=O)c3cccc(Cl)c3C2=O)c1.
What is the InChIKey of N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is MTKKEPVZFSXZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O5/c1-26-12-8-11(9-13(10-12)27-2)17(23)21-6-7-22-18(24)14-4-3-5-15(20)16(14)19(22)25/h3-5,8-10H,6-7H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethoxybenzamide?
N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 388.81 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 113082038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).