1-[2-(3-chloro-4-methoxyanilino)propanoyl]imidazolidin-2-one

C13H16ClN3O3 — CID 18097375

IUPAC1-[2-(3-chloro-4-methoxyanilino)propanoyl]imidazolidin-2-one
SMILESCOc1ccc(NC(C)C(=O)N2CCNC2=O)cc1Cl
InChIInChI=1S/C13H16ClN3O3/c1-8(12(18)17-6-5-15-13(17)19)16-9-3-4-11(20-2)10(14)7-9/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,19)
InChIKeyVCILQHGNSUVJMV-UHFFFAOYSA-N
MW297.74 g/mol
LogP1.70
Rot. Bonds4

About 1-[2-(3-chloro-4-methoxyanilino)propanoyl]imidazolidin-2-one

1-[2-(3-chloro-4-methoxyanilino)propanoyl]imidazolidin-2-one (PubChem CID 18097375) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-methoxyanilino)propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(3-chloro-4-methoxyanilino)propanoyl]imidazolidin-2-one
PubChem CID18097375
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name1-[2-(3-chloro-4-methoxyanilino)propanoyl]imidazolidin-2-one
SMILESCOc1ccc(NC(C)C(=O)N2CCNC2=O)cc1Cl
InChIInChI=1S/C13H16ClN3O3/c1-8(12(18)17-6-5-15-13(17)19)16-9-3-4-11(20-2)10(14)7-9/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,19)
InChIKeyVCILQHGNSUVJMV-UHFFFAOYSA-N
XLogP1.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanoyl]imidazolidin-2-one
CID 24624045
1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one
CID 39975330
1-[2-(3-benzyl-4-methoxyanilino)propanoyl]imidazolidin-2-one
CID 24561870
1-[(2S)-2-[(6-methoxy-3-pyridinyl)amino]propanoyl]imidazolidin-2-one
CID 94008955
1-[2-(2,3-dihydro-1H-inden-5-ylamino)propanoyl]imidazolidin-2-one
CID 47010805
(2R)-2-(3-chloro-4-methoxyanilino)propanoic acid
CID 7039116
1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanoyl]imidazolidin-2-one
CID 31877165
N-methyl-3-[[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]amino]benzamide
CID 18097406
1-[(2S)-2-(2,3-dihydro-1-benzofuran-5-ylamino)propanoyl]imidazolidin-2-one
CID 35625729
4-chloro-N-[3-[[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]amino]phenyl]benzenesulfonamide
CID 35657927
N-tert-butyl-2-(3-chloro-4-methoxyanilino)propanamide
CID 43087356
3-(3-chloro-4-methoxyanilino)-2-methylbutanoic acid
CID 79391077

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-methoxyanilino)propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(3-chloro-4-methoxyanilino)propanoyl]imidazolidin-2-one (CID 18097375) is 1-[2-(3-chloro-4-methoxyanilino)propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(3-chloro-4-methoxyanilino)propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(3-chloro-4-methoxyanilino)propanoyl]imidazolidin-2-one is COc1ccc(NC(C)C(=O)N2CCNC2=O)cc1Cl.
What is the InChIKey of 1-[2-(3-chloro-4-methoxyanilino)propanoyl]imidazolidin-2-one?
The InChIKey is VCILQHGNSUVJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-8(12(18)17-6-5-15-13(17)19)16-9-3-4-11(20-2)10(14)7-9/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,19).
What are the key properties of 1-[2-(3-chloro-4-methoxyanilino)propanoyl]imidazolidin-2-one?
1-[2-(3-chloro-4-methoxyanilino)propanoyl]imidazolidin-2-one has a molecular weight of 297.74 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-methoxyanilino)propanoyl]imidazolidin-2-one is sourced from PubChem (CID 18097375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).