1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide

C18H17ClFN3O4 — CID 10200618

IUPAC1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide
SMILESO=C(NO)C1CN(Cc2ccc(OCc3ccc(F)cc3Cl)cc2)C(=O)N1
InChIInChI=1S/C18H17ClFN3O4/c19-15-7-13(20)4-3-12(15)10-27-14-5-1-11(2-6-14)8-23-9-16(17(24)22-26)21-18(23)25/h1-7,16,26H,8-10H2,(H,21,25)(H,22,24)
InChIKeyDFGHCKFPVFPQIU-UHFFFAOYSA-N
MW393.80 g/mol
LogP2.46
Rot. Bonds6

About 1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide

1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide (PubChem CID 10200618) has the molecular formula C18H17ClFN3O4 and a molecular weight of 393.80 g/mol. Its IUPAC name is 1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide
PubChem CID10200618
Molecular FormulaC18H17ClFN3O4
Molecular Weight393.80 g/mol
Exact Mass393.09
IUPAC Name1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide
SMILESO=C(NO)C1CN(Cc2ccc(OCc3ccc(F)cc3Cl)cc2)C(=O)N1
InChIInChI=1S/C18H17ClFN3O4/c19-15-7-13(20)4-3-12(15)10-27-14-5-1-11(2-6-14)8-23-9-16(17(24)22-26)21-18(23)25/h1-7,16,26H,8-10H2,(H,21,25)(H,22,24)
InChIKeyDFGHCKFPVFPQIU-UHFFFAOYSA-N
XLogP2.46
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.80
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4R)-1-[4-(4-Fluorophenoxy)benzyl]-2-oxo-imidazolidine-4-carboxylic acid hydroxyamide
CID 9798247
(4R)-1-[4-(benzyloxy)benzyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide
CID 44272837
(4R)-1-[3-(4-fluorophenoxy)benzyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide
CID 44272911
(2S)-2-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
CID 141740061
(2S,4S)-1-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-fluoropyrrolidine-2-carboxamide
CID 156087785
(2S)-1-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide
CID 162661997
N-[(2-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 2516084
1-[[4-(4-fluorophenoxy)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide
CID 85040463
(2S)-2-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl-prop-2-ynylamino]propanamide
CID 162664908
US20230312528, Example 9A
CID 162520882
US11802122, Example 9A
CID 162520903
US20230312528, Example 9B
CID 162520904

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of 1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide (CID 10200618) is 1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for 1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for 1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide is O=C(NO)C1CN(Cc2ccc(OCc3ccc(F)cc3Cl)cc2)C(=O)N1.
What is the InChIKey of 1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide?
The InChIKey is DFGHCKFPVFPQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O4/c19-15-7-13(20)4-3-12(15)10-27-14-5-1-11(2-6-14)8-23-9-16(17(24)22-26)21-18(23)25/h1-7,16,26H,8-10H2,(H,21,25)(H,22,24).
What are the key properties of 1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide?
1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide has a molecular weight of 393.80 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 10200618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).