N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methylpropanamide

C15H19ClN2O2 — CID 168506970

IUPACN-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(N2CC(CCl)CC2=O)c1
InChIInChI=1S/C15H19ClN2O2/c1-10(2)15(20)17-12-4-3-5-13(7-12)18-9-11(8-16)6-14(18)19/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,17,20)
InChIKeyHINWDLGBHKWPBU-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.87
Rot. Bonds4

About N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methylpropanamide

N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methylpropanamide (PubChem CID 168506970) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methylpropanamide
PubChem CID168506970
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(N2CC(CCl)CC2=O)c1
InChIInChI=1S/C15H19ClN2O2/c1-10(2)15(20)17-12-4-3-5-13(7-12)18-9-11(8-16)6-14(18)19/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,17,20)
InChIKeyHINWDLGBHKWPBU-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carbonyl chloride
CID 50874068
(3S)-1-[3-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carbonyl chloride
CID 94076341
tert-butyl N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate
CID 168506919
N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methoxyacetamide
CID 168507417
N-[3-(2-methylpropanoylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2984442
(3R)-N-[3-(2-methylpropanoylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7220564
methyl N-[3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate
CID 168659446
S-[[1-(3-acetamidophenyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666389
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 168507034
1-(4-chlorophenyl)-N-[3-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55852191
4-(chloromethyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 168507625

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methylpropanamide (CID 168506970) is N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(N2CC(CCl)CC2=O)c1.
What is the InChIKey of N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methylpropanamide?
The InChIKey is HINWDLGBHKWPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10(2)15(20)17-12-4-3-5-13(7-12)18-9-11(8-16)6-14(18)19/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,17,20).
What are the key properties of N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methylpropanamide?
N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methylpropanamide has a molecular weight of 294.78 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 168506970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).