N-butan-2-yl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide

C16H21ClFN3O2 — CID 4205529

IUPACN-butan-2-yl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(Cc2ccc(F)cc2Cl)C1=O
InChIInChI=1S/C16H21ClFN3O2/c1-3-11(2)19-15(22)10-21-7-6-20(16(21)23)9-12-4-5-13(18)8-14(12)17/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,19,22)
InChIKeyWAWNHFKFIGRZQI-UHFFFAOYSA-N
MW341.81 g/mol
LogP2.63
Rot. Bonds6

About N-butan-2-yl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide

N-butan-2-yl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide (PubChem CID 4205529) has the molecular formula C16H21ClFN3O2 and a molecular weight of 341.81 g/mol. Its IUPAC name is N-butan-2-yl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
PubChem CID4205529
Molecular FormulaC16H21ClFN3O2
Molecular Weight341.81 g/mol
Exact Mass341.13
IUPAC NameN-butan-2-yl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(Cc2ccc(F)cc2Cl)C1=O
InChIInChI=1S/C16H21ClFN3O2/c1-3-11(2)19-15(22)10-21-7-6-20(16(21)23)9-12-4-5-13(18)8-14(12)17/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,19,22)
InChIKeyWAWNHFKFIGRZQI-UHFFFAOYSA-N
XLogP2.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-butan-2-yl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ambenonium
CID 2131
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 52944502
N-(2-chloro-4-fluorobenzyl)-1-isopropyl-5-oxoprolinamide
CID 20968164
(2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide
CID 71584672
N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide
CID 42615253
3-[(2-Chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2372698
N-[(2-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2478755
1-[(2-chlorophenyl)methyl]-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CID 2726677
N-cyclopentyl-2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 4204383
N-cyclopentyl-2-[3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 4205522
2-[3-(4-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(3-isopropoxypropyl)acetamide
CID 20851422
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-methylacetamide
CID 4785700

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide (CID 4205529) is N-butan-2-yl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(Cc2ccc(F)cc2Cl)C1=O.
What is the InChIKey of N-butan-2-yl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The InChIKey is WAWNHFKFIGRZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFN3O2/c1-3-11(2)19-15(22)10-21-7-6-20(16(21)23)9-12-4-5-13(18)8-14(12)17/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,19,22).
What are the key properties of N-butan-2-yl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
N-butan-2-yl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide has a molecular weight of 341.81 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 4205529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).