N-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide

C17H12ClFN2O3 — CID 9146166

IUPACN-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C17H12ClFN2O3/c18-12-6-3-7-13(15(12)19)20-14(22)8-9-21-16(23)10-4-1-2-5-11(10)17(21)24/h1-7H,8-9H2,(H,20,22)
InChIKeyCTUVZRANNXPUSS-UHFFFAOYSA-N
MW346.75 g/mol
LogP3.10
Rot. Bonds4

About N-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide

N-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 9146166) has the molecular formula C17H12ClFN2O3 and a molecular weight of 346.75 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID9146166
Molecular FormulaC17H12ClFN2O3
Molecular Weight346.75 g/mol
Exact Mass346.05
IUPAC NameN-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C17H12ClFN2O3/c18-12-6-3-7-13(15(12)19)20-14(22)8-9-21-16(23)10-4-1-2-5-11(10)17(21)24/h1-7H,8-9H2,(H,20,22)
InChIKeyCTUVZRANNXPUSS-UHFFFAOYSA-N
XLogP3.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 7290099
N-(5-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 2664572
3-amino-N-(3-chloro-2-fluorophenyl)propanamide
CID 28969296
3-chloro-N-(3-chloro-2-fluorophenyl)propanamide
CID 28830698
N-(2-chlorophenyl)-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide
CID 9032090
N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 28867517
N-(3-chloro-2-fluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9146369
3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113202209
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)propanamide
CID 30428123
3-(1,3-dioxoisoindol-2-yl)-N-(2-nitrophenyl)propanamide
CID 2788208
N-(2-chlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]acetamide
CID 2079379
3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(3-chloro-2-fluorophenyl)propanamide
CID 46597208

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 9146166) is N-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccc(Cl)c1F.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is CTUVZRANNXPUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O3/c18-12-6-3-7-13(15(12)19)20-14(22)8-9-21-16(23)10-4-1-2-5-11(10)17(21)24/h1-7H,8-9H2,(H,20,22).
What are the key properties of N-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 346.75 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 9146166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).