N-[(2-chloro-6-fluorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide

C19H16ClFN2O3 — CID 18079973

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H16ClFN2O3/c1-22(11-14-15(20)7-4-8-16(14)21)17(24)9-10-23-18(25)12-5-2-3-6-13(12)19(23)26/h2-8H,9-11H2,1H3
InChIKeyUVSMIESFPOCNEY-UHFFFAOYSA-N
MW374.80 g/mol
LogP3.12
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide

N-[(2-chloro-6-fluorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide (PubChem CID 18079973) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide
PubChem CID18079973
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H16ClFN2O3/c1-22(11-14-15(20)7-4-8-16(14)21)17(24)9-10-23-18(25)12-5-2-3-6-13(12)19(23)26/h2-8H,9-11H2,1H3
InChIKeyUVSMIESFPOCNEY-UHFFFAOYSA-N
XLogP3.12
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(2-chloro-6-fluorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide (CID 18079973) is N-[(2-chloro-6-fluorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide is CN(Cc1c(F)cccc1Cl)C(=O)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide?
The InChIKey is UVSMIESFPOCNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c1-22(11-14-15(20)7-4-8-16(14)21)17(24)9-10-23-18(25)12-5-2-3-6-13(12)19(23)26/h2-8H,9-11H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide?
N-[(2-chloro-6-fluorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide has a molecular weight of 374.80 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide is sourced from PubChem (CID 18079973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).