N-cyclopentyl-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide

C16H17FN2O3 — CID 113202679

IUPACN-cyclopentyl-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2cccc(F)c2C1=O)NC1CCCC1
InChIInChI=1S/C16H17FN2O3/c17-12-7-3-6-11-14(12)16(22)19(15(11)21)9-8-13(20)18-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H,18,20)
InChIKeySMAORGYXNZUBLC-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.87
Rot. Bonds4

About N-cyclopentyl-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide

N-cyclopentyl-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 113202679) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is N-cyclopentyl-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
PubChem CID113202679
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC NameN-cyclopentyl-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2cccc(F)c2C1=O)NC1CCCC1
InChIInChI=1S/C16H17FN2O3/c17-12-7-3-6-11-14(12)16(22)19(15(11)21)9-8-13(20)18-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H,18,20)
InChIKeySMAORGYXNZUBLC-UHFFFAOYSA-N
XLogP1.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.87
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-cyclopentyl-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide
CID 110839559
3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide
CID 113202778
N-cyclohexyl-4-(4-nitro-1,3-dioxoisoindol-2-yl)butanamide
CID 4108672
N-cyclohexyl-3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
CID 9172413
N-(3-acetamidophenyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
CID 113202807
3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113202740
3-(1,3-dioxoisoindol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 729676
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
CID 113202708
2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid
CID 130161137
N-(1,1-dioxothiolan-3-yl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide
CID 18593880
N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-phenylacetamide
CID 113082354
N-cyclohexyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 9243405

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-cyclopentyl-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide (CID 113202679) is N-cyclopentyl-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-cyclopentyl-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-cyclopentyl-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide is O=C(CCN1C(=O)c2cccc(F)c2C1=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is SMAORGYXNZUBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c17-12-7-3-6-11-14(12)16(22)19(15(11)21)9-8-13(20)18-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H,18,20).
What are the key properties of N-cyclopentyl-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide?
N-cyclopentyl-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 304.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 113202679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).