N-[4-(3-fluorophenoxy)phenyl]-N'-[(1S)-1-pyridin-4-ylpropyl]oxamide

C22H20FN3O3 — CID 99817834

IUPACN-[4-(3-fluorophenoxy)phenyl]-N'-[(1S)-1-pyridin-4-ylpropyl]oxamide
SMILESCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1)c1ccncc1
InChIInChI=1S/C22H20FN3O3/c1-2-20(15-10-12-24-13-11-15)26-22(28)21(27)25-17-6-8-18(9-7-17)29-19-5-3-4-16(23)14-19/h3-14,20H,2H2,1H3,(H,25,27)(H,26,28)/t20-/m0/s1
InChIKeyOWPZVHLOZDPULL-FQEVSTJZSA-N
MW393.42 g/mol
LogP4.22
Rot. Bonds6

About N-[4-(3-fluorophenoxy)phenyl]-N'-[(1S)-1-pyridin-4-ylpropyl]oxamide

N-[4-(3-fluorophenoxy)phenyl]-N'-[(1S)-1-pyridin-4-ylpropyl]oxamide (PubChem CID 99817834) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[4-(3-fluorophenoxy)phenyl]-N'-[(1S)-1-pyridin-4-ylpropyl]oxamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenoxy)phenyl]-N'-[(1S)-1-pyridin-4-ylpropyl]oxamide
PubChem CID99817834
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC NameN-[4-(3-fluorophenoxy)phenyl]-N'-[(1S)-1-pyridin-4-ylpropyl]oxamide
SMILESCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1)c1ccncc1
InChIInChI=1S/C22H20FN3O3/c1-2-20(15-10-12-24-13-11-15)26-22(28)21(27)25-17-6-8-18(9-7-17)29-19-5-3-4-16(23)14-19/h3-14,20H,2H2,1H3,(H,25,27)(H,26,28)/t20-/m0/s1
InChIKeyOWPZVHLOZDPULL-FQEVSTJZSA-N
XLogP4.22
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(4-fluorophenyl)-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11439538
N-(3,5-difluorophenyl)-N'-[(1S)-1-(4-methoxyphenyl)propyl]oxamide
CID 95597018
1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
CID 97318670
2-chloro-N-[4-(3-fluorophenoxy)phenyl]acetamide
CID 39379903
N'-(3-methylphenyl)-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11359988
N-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide
CID 111798119
N-[4-[3-[4-(pyridine-4-carbonylamino)phenoxy]phenoxy]phenyl]pyridine-4-carboxamide
CID 1376699
N-(4-pyridin-4-yloxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 99619776
4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide
CID 142594929
N'-[3-[difluoro(phosphanyl)methyl]-4-methylphenyl]-N-(3-pyridin-4-yloxyphenyl)oxamide;ethane
CID 142944409
1-[4-(3-fluorophenoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111473971
3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide
CID 3108222

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenoxy)phenyl]-N'-[(1S)-1-pyridin-4-ylpropyl]oxamide?
The IUPAC name of N-[4-(3-fluorophenoxy)phenyl]-N'-[(1S)-1-pyridin-4-ylpropyl]oxamide (CID 99817834) is N-[4-(3-fluorophenoxy)phenyl]-N'-[(1S)-1-pyridin-4-ylpropyl]oxamide.
What is the SMILES notation for N-[4-(3-fluorophenoxy)phenyl]-N'-[(1S)-1-pyridin-4-ylpropyl]oxamide?
The canonical SMILES for N-[4-(3-fluorophenoxy)phenyl]-N'-[(1S)-1-pyridin-4-ylpropyl]oxamide is CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1)c1ccncc1.
What is the InChIKey of N-[4-(3-fluorophenoxy)phenyl]-N'-[(1S)-1-pyridin-4-ylpropyl]oxamide?
The InChIKey is OWPZVHLOZDPULL-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-2-20(15-10-12-24-13-11-15)26-22(28)21(27)25-17-6-8-18(9-7-17)29-19-5-3-4-16(23)14-19/h3-14,20H,2H2,1H3,(H,25,27)(H,26,28)/t20-/m0/s1.
What are the key properties of N-[4-(3-fluorophenoxy)phenyl]-N'-[(1S)-1-pyridin-4-ylpropyl]oxamide?
N-[4-(3-fluorophenoxy)phenyl]-N'-[(1S)-1-pyridin-4-ylpropyl]oxamide has a molecular weight of 393.42 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenoxy)phenyl]-N'-[(1S)-1-pyridin-4-ylpropyl]oxamide is sourced from PubChem (CID 99817834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).