3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide

C14H18ClN3O2 — CID 63679045

IUPAC3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
SMILESCC(C)(CCl)C(=O)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C14H18ClN3O2/c1-14(2,9-15)12(19)17-10-4-3-5-11(8-10)18-7-6-16-13(18)20/h3-5,8H,6-7,9H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyWAMRJMGWDJGEBK-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.42
Rot. Bonds4

About 3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide

3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide (PubChem CID 63679045) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
PubChem CID63679045
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
SMILESCC(C)(CCl)C(=O)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C14H18ClN3O2/c1-14(2,9-15)12(19)17-10-4-3-5-11(8-10)18-7-6-16-13(18)20/h3-5,8H,6-7,9H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyWAMRJMGWDJGEBK-UHFFFAOYSA-N
XLogP2.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 94799953
2,2-dimethyl-N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]propanamide
CID 55717079
2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 107903731
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 154834572
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 79026340
2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide
CID 47039442
1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 100624959
1-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]imidazolidin-2-one
CID 81401096
(2S)-2-(2-methylpropoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 94123689
4-benzamido-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55726264
1-[3-[(3-methylphenyl)methylamino]phenyl]imidazolidin-2-one
CID 43696493

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide (CID 63679045) is 3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide is CC(C)(CCl)C(=O)Nc1cccc(N2CCNC2=O)c1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
The InChIKey is WAMRJMGWDJGEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-14(2,9-15)12(19)17-10-4-3-5-11(8-10)18-7-6-16-13(18)20/h3-5,8H,6-7,9H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of 3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide has a molecular weight of 295.77 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 63679045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).