N-(5-acetamido-2-fluorophenyl)-N'-benzyl-N'-methyloxamide

C18H18FN3O3 — CID 87039893

IUPACN-(5-acetamido-2-fluorophenyl)-N'-benzyl-N'-methyloxamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C18H18FN3O3/c1-12(23)20-14-8-9-15(19)16(10-14)21-17(24)18(25)22(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyIQGKGVRGMXMUQK-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.38
Rot. Bonds4

About N-(5-acetamido-2-fluorophenyl)-N'-benzyl-N'-methyloxamide

N-(5-acetamido-2-fluorophenyl)-N'-benzyl-N'-methyloxamide (PubChem CID 87039893) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-N'-benzyl-N'-methyloxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-N'-benzyl-N'-methyloxamide
PubChem CID87039893
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC NameN-(5-acetamido-2-fluorophenyl)-N'-benzyl-N'-methyloxamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C18H18FN3O3/c1-12(23)20-14-8-9-15(19)16(10-14)21-17(24)18(25)22(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyIQGKGVRGMXMUQK-UHFFFAOYSA-N
XLogP2.38
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-fluoro-3-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
CID 86988362
N'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide
CID 108514233
N-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
CID 86988363
N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide
CID 52559111
N'-benzyl-N-(5-hydroxynaphthalen-1-yl)-N'-methyloxamide
CID 108509276
N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide
CID 108516339
methyl 4-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzoate
CID 108518797
N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
CID 119279495
N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide
CID 108520821
3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide
CID 109020498
3-(3-acetamidoanilino)-N-benzyl-N-methylpropanamide
CID 109020497
N-[2-fluoro-5-[[(2R)-2-(N-methylanilino)propyl]carbamoylamino]phenyl]acetamide
CID 51946412

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-N'-benzyl-N'-methyloxamide?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-N'-benzyl-N'-methyloxamide (CID 87039893) is N-(5-acetamido-2-fluorophenyl)-N'-benzyl-N'-methyloxamide.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-N'-benzyl-N'-methyloxamide?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-N'-benzyl-N'-methyloxamide is CC(=O)Nc1ccc(F)c(NC(=O)C(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-N'-benzyl-N'-methyloxamide?
The InChIKey is IQGKGVRGMXMUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-12(23)20-14-8-9-15(19)16(10-14)21-17(24)18(25)22(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(5-acetamido-2-fluorophenyl)-N'-benzyl-N'-methyloxamide?
N-(5-acetamido-2-fluorophenyl)-N'-benzyl-N'-methyloxamide has a molecular weight of 343.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-N'-benzyl-N'-methyloxamide is sourced from PubChem (CID 87039893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).