1-[2-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]acetyl]imidazolidin-2-one

C18H17ClFN3O3 — CID 34082442

IUPAC1-[2-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]acetyl]imidazolidin-2-one
SMILESO=C(CNc1ccc(OCc2cccc(F)c2)c(Cl)c1)N1CCNC1=O
InChIInChI=1S/C18H17ClFN3O3/c19-15-9-14(22-10-17(24)23-7-6-21-18(23)25)4-5-16(15)26-11-12-2-1-3-13(20)8-12/h1-5,8-9,22H,6-7,10-11H2,(H,21,25)
InChIKeyJYKZVTMWISYEOD-UHFFFAOYSA-N
MW377.80 g/mol
LogP3.02
Rot. Bonds6

About 1-[2-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]acetyl]imidazolidin-2-one

1-[2-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]acetyl]imidazolidin-2-one (PubChem CID 34082442) has the molecular formula C18H17ClFN3O3 and a molecular weight of 377.80 g/mol. Its IUPAC name is 1-[2-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]acetyl]imidazolidin-2-one
PubChem CID34082442
Molecular FormulaC18H17ClFN3O3
Molecular Weight377.80 g/mol
Exact Mass377.09
IUPAC Name1-[2-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]acetyl]imidazolidin-2-one
SMILESO=C(CNc1ccc(OCc2cccc(F)c2)c(Cl)c1)N1CCNC1=O
InChIInChI=1S/C18H17ClFN3O3/c19-15-9-14(22-10-17(24)23-7-6-21-18(23)25)4-5-16(15)26-11-12-2-1-3-13(20)8-12/h1-5,8-9,22H,6-7,10-11H2,(H,21,25)
InChIKeyJYKZVTMWISYEOD-UHFFFAOYSA-N
XLogP3.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.80
LogP ≤ 53.02
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

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 33064316
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-methoxyacetamide
CID 33064342
3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[(3-fluorophenyl)methoxy]aniline
CID 168584076
4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 3875368
N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126126042
4-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-N-(2,3-dihydro-1H-pyrrol-5-yl)quinazoline-4,6-diamine
CID 141281338
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(tetrazol-1-yl)benzamide
CID 33064509
4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-1H-[1]benzothiolo[3,2-d]pyrimidin-7-one
CID 67358831
2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]acetic acid
CID 141203089
3-(2-amino-2-oxoethoxy)-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]benzamide
CID 33065215
1-[4-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-6-fluoroquinazolin-7-yl]piperazin-1-yl]prop-2-en-1-one
CID 155565171
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxy-4-(2-methoxyethoxy)benzamide
CID 72704750

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]acetyl]imidazolidin-2-one (CID 34082442) is 1-[2-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]acetyl]imidazolidin-2-one is O=C(CNc1ccc(OCc2cccc(F)c2)c(Cl)c1)N1CCNC1=O.
What is the InChIKey of 1-[2-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]acetyl]imidazolidin-2-one?
The InChIKey is JYKZVTMWISYEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O3/c19-15-9-14(22-10-17(24)23-7-6-21-18(23)25)4-5-16(15)26-11-12-2-1-3-13(20)8-12/h1-5,8-9,22H,6-7,10-11H2,(H,21,25).
What are the key properties of 1-[2-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]acetyl]imidazolidin-2-one?
1-[2-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]acetyl]imidazolidin-2-one has a molecular weight of 377.80 g/mol, XLogP of 3.02, 6 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-[(3-fluorophenyl)methoxy]anilino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 34082442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).