3-(chloromethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide

C15H19ClN2O2 — CID 60934371

IUPAC3-(chloromethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
SMILESCC(CN1CCCC1=O)NC(=O)c1cccc(CCl)c1
InChIInChI=1S/C15H19ClN2O2/c1-11(10-18-7-3-6-14(18)19)17-15(20)13-5-2-4-12(8-13)9-16/h2,4-5,8,11H,3,6-7,9-10H2,1H3,(H,17,20)
InChIKeyGRTALIMODBKRMK-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.17
Rot. Bonds5

About 3-(chloromethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide

3-(chloromethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide (PubChem CID 60934371) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 3-(chloromethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
PubChem CID60934371
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name3-(chloromethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
SMILESCC(CN1CCCC1=O)NC(=O)c1cccc(CCl)c1
InChIInChI=1S/C15H19ClN2O2/c1-11(10-18-7-3-6-14(18)19)17-15(20)13-5-2-4-12(8-13)9-16/h2,4-5,8,11H,3,6-7,9-10H2,1H3,(H,17,20)
InChIKeyGRTALIMODBKRMK-UHFFFAOYSA-N
XLogP2.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.17
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

3-(morpholin-4-ylmethyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 95621032
4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 60928640
4-amino-3-fluoro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 62678143
5-bromo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-3-carboxamide
CID 47267922
3-(chloromethyl)-N-pentan-2-ylbenzamide
CID 43156329
6-oxo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyridine-2-carboxamide
CID 107362990
3-chloro-5-fluoro-4-hydroxy-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 164637041
N-[3-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 155945349
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 61062526
3-bromo-2-methyl-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 97054372
3-(3-aminophenyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]propanamide
CID 80695549
3-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)benzamide
CID 104827955

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide?
The IUPAC name of 3-(chloromethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide (CID 60934371) is 3-(chloromethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide?
The canonical SMILES for 3-(chloromethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide is CC(CN1CCCC1=O)NC(=O)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide?
The InChIKey is GRTALIMODBKRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-11(10-18-7-3-6-14(18)19)17-15(20)13-5-2-4-12(8-13)9-16/h2,4-5,8,11H,3,6-7,9-10H2,1H3,(H,17,20).
What are the key properties of 3-(chloromethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide?
3-(chloromethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide has a molecular weight of 294.78 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide is sourced from PubChem (CID 60934371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).