N-[(5-bromo-2-methylphenyl)methyl]-N-(2,6-dioxopiperidin-3-yl)formamide

C14H15BrN2O3 — CID 134579839

IUPACN-[(5-bromo-2-methylphenyl)methyl]-N-(2,6-dioxopiperidin-3-yl)formamide
SMILESCc1ccc(Br)cc1CN(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C14H15BrN2O3/c1-9-2-3-11(15)6-10(9)7-17(8-18)12-4-5-13(19)16-14(12)20/h2-3,6,8,12H,4-5,7H2,1H3,(H,16,19,20)
InChIKeyIGSOZUDMENYJOH-UHFFFAOYSA-N
MW339.19 g/mol
LogP1.52
Rot. Bonds4

About N-[(5-bromo-2-methylphenyl)methyl]-N-(2,6-dioxopiperidin-3-yl)formamide

N-[(5-bromo-2-methylphenyl)methyl]-N-(2,6-dioxopiperidin-3-yl)formamide (PubChem CID 134579839) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is N-[(5-bromo-2-methylphenyl)methyl]-N-(2,6-dioxopiperidin-3-yl)formamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methylphenyl)methyl]-N-(2,6-dioxopiperidin-3-yl)formamide
PubChem CID134579839
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC NameN-[(5-bromo-2-methylphenyl)methyl]-N-(2,6-dioxopiperidin-3-yl)formamide
SMILESCc1ccc(Br)cc1CN(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C14H15BrN2O3/c1-9-2-3-11(15)6-10(9)7-17(8-18)12-4-5-13(19)16-14(12)20/h2-3,6,8,12H,4-5,7H2,1H3,(H,16,19,20)
InChIKeyIGSOZUDMENYJOH-UHFFFAOYSA-N
XLogP1.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.52
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-5-nitrophenyl)methyl]formamide
CID 166695051
N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;N-methylpropanamide
CID 168945657
N-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide
CID 171641343
N-[[5-[5-(2,4-dichlorophenyl)-1-methylimidazol-4-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 174284212
N-(2,6-dioxopiperidin-3-yl)-N-[(3-methyl-6-piperazin-1-yl-2-pyridinyl)methyl]formamide
CID 168992484
N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-(2-oxoethoxy)phenyl]methyl]formamide
CID 167470181
N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide
CID 176968593
N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide;ethane
CID 176968592
N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-5-[4-[[1-[[3-(methylaminomethyl)phenyl]methyl]piperidin-4-yl]methyl]piperazin-1-yl]phenyl]methyl]formamide
CID 177202270
N-[[5-[4-[2-[3-[(1R)-1-aminoethyl]phenoxy]acetyl]piperazin-1-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 167192386
N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-5-[(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]oxyphenyl]methyl]formamide
CID 174283747
N-(2,6-dioxopiperidin-3-yl)-N-(2-methoxy-2-phenylethyl)formamide
CID 167091335

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]-N-(2,6-dioxopiperidin-3-yl)formamide?
The IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]-N-(2,6-dioxopiperidin-3-yl)formamide (CID 134579839) is N-[(5-bromo-2-methylphenyl)methyl]-N-(2,6-dioxopiperidin-3-yl)formamide.
What is the SMILES notation for N-[(5-bromo-2-methylphenyl)methyl]-N-(2,6-dioxopiperidin-3-yl)formamide?
The canonical SMILES for N-[(5-bromo-2-methylphenyl)methyl]-N-(2,6-dioxopiperidin-3-yl)formamide is Cc1ccc(Br)cc1CN(C=O)C1CCC(=O)NC1=O.
What is the InChIKey of N-[(5-bromo-2-methylphenyl)methyl]-N-(2,6-dioxopiperidin-3-yl)formamide?
The InChIKey is IGSOZUDMENYJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-9-2-3-11(15)6-10(9)7-17(8-18)12-4-5-13(19)16-14(12)20/h2-3,6,8,12H,4-5,7H2,1H3,(H,16,19,20).
What are the key properties of N-[(5-bromo-2-methylphenyl)methyl]-N-(2,6-dioxopiperidin-3-yl)formamide?
N-[(5-bromo-2-methylphenyl)methyl]-N-(2,6-dioxopiperidin-3-yl)formamide has a molecular weight of 339.19 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methylphenyl)methyl]-N-(2,6-dioxopiperidin-3-yl)formamide is sourced from PubChem (CID 134579839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).