N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-ethylphenyl)-2-methylpropyl]oxamide

C22H26FN3O3 — CID 86996341

IUPACN-(5-acetamido-2-fluorophenyl)-N'-[1-(4-ethylphenyl)-2-methylpropyl]oxamide
SMILESCCc1ccc(C(NC(=O)C(=O)Nc2cc(NC(C)=O)ccc2F)C(C)C)cc1
InChIInChI=1S/C22H26FN3O3/c1-5-15-6-8-16(9-7-15)20(13(2)3)26-22(29)21(28)25-19-12-17(24-14(4)27)10-11-18(19)23/h6-13,20H,5H2,1-4H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyDPOKUWSRMMWDPC-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.80
Rot. Bonds6

About N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-ethylphenyl)-2-methylpropyl]oxamide

N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-ethylphenyl)-2-methylpropyl]oxamide (PubChem CID 86996341) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-ethylphenyl)-2-methylpropyl]oxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-N'-[1-(4-ethylphenyl)-2-methylpropyl]oxamide
PubChem CID86996341
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC NameN-(5-acetamido-2-fluorophenyl)-N'-[1-(4-ethylphenyl)-2-methylpropyl]oxamide
SMILESCCc1ccc(C(NC(=O)C(=O)Nc2cc(NC(C)=O)ccc2F)C(C)C)cc1
InChIInChI=1S/C22H26FN3O3/c1-5-15-6-8-16(9-7-15)20(13(2)3)26-22(29)21(28)25-19-12-17(24-14(4)27)10-11-18(19)23/h6-13,20H,5H2,1-4H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyDPOKUWSRMMWDPC-UHFFFAOYSA-N
XLogP3.80
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-difluorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108511128
N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-chlorophenyl)-3-methylbutyl]oxamide
CID 71869477
(2R)-N-(4-acetamidophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]propanamide
CID 8992097
N-(2,4-dichlorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108502742
N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide
CID 43672597
2-(4-acetamidophenyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 134015095
N-(5-chloro-2-methylphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108510908
N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998747
(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
CID 119279500
N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119705048
N-[2-fluoro-5-[[(2R)-2-(N-methylanilino)propyl]carbamoylamino]phenyl]acetamide
CID 51946412
N-(2,4-difluorophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8991959

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-ethylphenyl)-2-methylpropyl]oxamide?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-ethylphenyl)-2-methylpropyl]oxamide (CID 86996341) is N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-ethylphenyl)-2-methylpropyl]oxamide.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-ethylphenyl)-2-methylpropyl]oxamide?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-ethylphenyl)-2-methylpropyl]oxamide is CCc1ccc(C(NC(=O)C(=O)Nc2cc(NC(C)=O)ccc2F)C(C)C)cc1.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-ethylphenyl)-2-methylpropyl]oxamide?
The InChIKey is DPOKUWSRMMWDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-5-15-6-8-16(9-7-15)20(13(2)3)26-22(29)21(28)25-19-12-17(24-14(4)27)10-11-18(19)23/h6-13,20H,5H2,1-4H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-ethylphenyl)-2-methylpropyl]oxamide?
N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-ethylphenyl)-2-methylpropyl]oxamide has a molecular weight of 399.47 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-ethylphenyl)-2-methylpropyl]oxamide is sourced from PubChem (CID 86996341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).