N-[4-chloro-2-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-(4-fluorophenoxy)benzamide

C22H18ClFN2O4 — CID 130368938

IUPACN-[4-chloro-2-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-(4-fluorophenoxy)benzamide
SMILESO=C(CCc1cc(Cl)ccc1NC(=O)c1ccccc1Oc1ccc(F)cc1)NO
InChIInChI=1S/C22H18ClFN2O4/c23-15-6-11-19(14(13-15)5-12-21(27)26-29)25-22(28)18-3-1-2-4-20(18)30-17-9-7-16(24)8-10-17/h1-4,6-11,13,29H,5,12H2,(H,25,28)(H,26,27)
InChIKeyWPOYKUYGFSKBHV-UHFFFAOYSA-N
MW428.85 g/mol
LogP4.96
Rot. Bonds7

About N-[4-chloro-2-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-(4-fluorophenoxy)benzamide

N-[4-chloro-2-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-(4-fluorophenoxy)benzamide (PubChem CID 130368938) has the molecular formula C22H18ClFN2O4 and a molecular weight of 428.85 g/mol. Its IUPAC name is N-[4-chloro-2-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-(4-fluorophenoxy)benzamide.

Molecular Properties

Compound NameN-[4-chloro-2-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-(4-fluorophenoxy)benzamide
PubChem CID130368938
Molecular FormulaC22H18ClFN2O4
Molecular Weight428.85 g/mol
Exact Mass428.09
IUPAC NameN-[4-chloro-2-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-(4-fluorophenoxy)benzamide
SMILESO=C(CCc1cc(Cl)ccc1NC(=O)c1ccccc1Oc1ccc(F)cc1)NO
InChIInChI=1S/C22H18ClFN2O4/c23-15-6-11-19(14(13-15)5-12-21(27)26-29)25-22(28)18-3-1-2-4-20(18)30-17-9-7-16(24)8-10-17/h1-4,6-11,13,29H,5,12H2,(H,25,28)(H,26,27)
InChIKeyWPOYKUYGFSKBHV-UHFFFAOYSA-N
XLogP4.96
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.85
LogP ≤ 54.96
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

N-(2,4-dichlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 612195
N-[5-chloro-2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methylphenoxy)benzamide
CID 122550447
N-(5-chloro-2-fluorophenyl)-2-methoxybenzamide
CID 8759235
N-(3,4-difluorophenyl)-2-phenoxybenzamide
CID 3402318
N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 814241
N-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954259
2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 8852932
4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene
CID 114846972
N-(3-fluorophenyl)-2-phenoxybenzamide
CID 876611
2,4-difluoro-N-(2-phenoxyphenyl)benzamide
CID 4797438
N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 2212566
N-[2-chloro-5-(propanoylamino)phenyl]-2-phenoxybenzamide
CID 55799168

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-(4-fluorophenoxy)benzamide?
The IUPAC name of N-[4-chloro-2-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-(4-fluorophenoxy)benzamide (CID 130368938) is N-[4-chloro-2-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-(4-fluorophenoxy)benzamide.
What is the SMILES notation for N-[4-chloro-2-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-(4-fluorophenoxy)benzamide?
The canonical SMILES for N-[4-chloro-2-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-(4-fluorophenoxy)benzamide is O=C(CCc1cc(Cl)ccc1NC(=O)c1ccccc1Oc1ccc(F)cc1)NO.
What is the InChIKey of N-[4-chloro-2-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-(4-fluorophenoxy)benzamide?
The InChIKey is WPOYKUYGFSKBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O4/c23-15-6-11-19(14(13-15)5-12-21(27)26-29)25-22(28)18-3-1-2-4-20(18)30-17-9-7-16(24)8-10-17/h1-4,6-11,13,29H,5,12H2,(H,25,28)(H,26,27).
What are the key properties of N-[4-chloro-2-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-(4-fluorophenoxy)benzamide?
N-[4-chloro-2-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-(4-fluorophenoxy)benzamide has a molecular weight of 428.85 g/mol, XLogP of 4.96, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[3-(hydroxyamino)-3-oxopropyl]phenyl]-2-(4-fluorophenoxy)benzamide is sourced from PubChem (CID 130368938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).