N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide

C23H18ClN3O3 — CID 60535758

IUPACN-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C(=O)N(Cc1ccccn1)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H18ClN3O3/c1-15(27-22(29)19-7-2-3-8-20(19)23(27)30)21(28)26(14-17-6-4-5-13-25-17)18-11-9-16(24)10-12-18/h2-13,15H,14H2,1H3
InChIKeyACBPQJIRVQIZRX-UHFFFAOYSA-N
MW419.87 g/mol
LogP3.95
Rot. Bonds5

About N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide

N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 60535758) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID60535758
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC NameN-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C(=O)N(Cc1ccccn1)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H18ClN3O3/c1-15(27-22(29)19-7-2-3-8-20(19)23(27)30)21(28)26(14-17-6-4-5-13-25-17)18-11-9-16(24)10-12-18/h2-13,15H,14H2,1H3
InChIKeyACBPQJIRVQIZRX-UHFFFAOYSA-N
XLogP3.95
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide (CID 60535758) is N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide is CC(C(=O)N(Cc1ccccn1)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is ACBPQJIRVQIZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c1-15(27-22(29)19-7-2-3-8-20(19)23(27)30)21(28)26(14-17-6-4-5-13-25-17)18-11-9-16(24)10-12-18/h2-13,15H,14H2,1H3.
What are the key properties of N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide?
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 419.87 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 60535758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).