N-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide

C14H15FN2O3 — CID 171641343

IUPACN-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide
SMILESCc1cccc(F)c1CN(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C14H15FN2O3/c1-9-3-2-4-11(15)10(9)7-17(8-18)12-5-6-13(19)16-14(12)20/h2-4,8,12H,5-7H2,1H3,(H,16,19,20)
InChIKeyPHSPTGREXQPHMR-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.90
Rot. Bonds4

About N-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide

N-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide (PubChem CID 171641343) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide
PubChem CID171641343
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide
SMILESCc1cccc(F)c1CN(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C14H15FN2O3/c1-9-3-2-4-11(15)10(9)7-17(8-18)12-5-6-13(19)16-14(12)20/h2-4,8,12H,5-7H2,1H3,(H,16,19,20)
InChIKeyPHSPTGREXQPHMR-UHFFFAOYSA-N
XLogP0.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-(2-oxoethoxy)phenyl]methyl]formamide
CID 167470181
N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;ethane
CID 154670610
2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-methylbenzaldehyde
CID 153393829
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-propan-2-ylbenzamide;N-(2,6-dioxopiperidin-3-yl)-N-[(2-methyl-6-propan-2-ylphenyl)methyl]formamide
CID 162438893
N-[(5-bromo-2-methylphenyl)methyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 134579839
N-(2,6-dioxopiperidin-3-yl)-N-[[2-[[2-fluoro-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]formamide
CID 166797635
N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;N-methylpropanamide
CID 168945657
N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[[2-(methylamino)ethyl-(2-oxoethyl)amino]methyl]phenyl]methoxy]phenyl]methyl]formamide
CID 129236702
N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-formyl-2-methylbenzamide
CID 154690274
N-(2,6-dioxopiperidin-3-yl)-N-[(2-methyl-5-nitrophenyl)methyl]formamide
CID 166695051
N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]phenyl]methyl]formamide
CID 130312138
5-[4-[[4-[[2-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylanilino]methyl]phenyl]methyl]piperazin-1-yl]pentanoic acid
CID 174336036

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide (CID 171641343) is N-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide is Cc1cccc(F)c1CN(C=O)C1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide?
The InChIKey is PHSPTGREXQPHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-9-3-2-4-11(15)10(9)7-17(8-18)12-5-6-13(19)16-14(12)20/h2-4,8,12H,5-7H2,1H3,(H,16,19,20).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide?
N-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide has a molecular weight of 278.28 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide is sourced from PubChem (CID 171641343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).