1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one

C12H14ClN3O2 — CID 39975330

IUPAC1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one
SMILESC[C@H](Nc1ccc(Cl)cc1)C(=O)N1CCNC1=O
InChIInChI=1S/C12H14ClN3O2/c1-8(11(17)16-7-6-14-12(16)18)15-10-4-2-9(13)3-5-10/h2-5,8,15H,6-7H2,1H3,(H,14,18)/t8-/m0/s1
InChIKeyLFRBJOCYQAFLLJ-QMMMGPOBSA-N
MW267.72 g/mol
LogP1.69
Rot. Bonds3

About 1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one

1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one (PubChem CID 39975330) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one
PubChem CID39975330
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one
SMILESC[C@H](Nc1ccc(Cl)cc1)C(=O)N1CCNC1=O
InChIInChI=1S/C12H14ClN3O2/c1-8(11(17)16-7-6-14-12(16)18)15-10-4-2-9(13)3-5-10/h2-5,8,15H,6-7H2,1H3,(H,14,18)/t8-/m0/s1
InChIKeyLFRBJOCYQAFLLJ-QMMMGPOBSA-N
XLogP1.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-phenylanilino)propanoyl]imidazolidin-2-one
CID 47010755
1-[2-(3-chloro-4-methoxyanilino)propanoyl]imidazolidin-2-one
CID 18097375
4-chloro-N-[3-[[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]amino]phenyl]benzenesulfonamide
CID 35657927
1-[2-(2,3-dihydro-1H-inden-5-ylamino)propanoyl]imidazolidin-2-one
CID 47010805
1-[(2S)-2-[(6-methoxy-3-pyridinyl)amino]propanoyl]imidazolidin-2-one
CID 94008955
1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanoyl]imidazolidin-2-one
CID 31877165
1-[(2S)-2-(2,3-dihydro-1-benzofuran-5-ylamino)propanoyl]imidazolidin-2-one
CID 35625729
1-[(2R)-2-[(4-chlorophenyl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8541173
N-methyl-3-[[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]amino]benzamide
CID 18097406
1-[(2S)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanoyl]imidazolidin-2-one
CID 39975466
1-[2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanoyl]imidazolidin-2-one
CID 24624045
1-[(2S)-2-[4-[[(2S)-oxolan-2-yl]methoxy]anilino]propanoyl]imidazolidin-2-one
CID 94642990

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one (CID 39975330) is 1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one is C[C@H](Nc1ccc(Cl)cc1)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one?
The InChIKey is LFRBJOCYQAFLLJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-8(11(17)16-7-6-14-12(16)18)15-10-4-2-9(13)3-5-10/h2-5,8,15H,6-7H2,1H3,(H,14,18)/t8-/m0/s1.
What are the key properties of 1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one?
1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one has a molecular weight of 267.72 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one is sourced from PubChem (CID 39975330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).