N-(2-fluoro-5-methoxyphenyl)-N'-methyl-N'-[(1S)-1-(1-methylcyclopropyl)ethyl]oxamide

C16H21FN2O3 — CID 99635405

IUPACN-(2-fluoro-5-methoxyphenyl)-N'-methyl-N'-[(1S)-1-(1-methylcyclopropyl)ethyl]oxamide
SMILESCOc1ccc(F)c(NC(=O)C(=O)N(C)[C@@H](C)C2(C)CC2)c1
InChIInChI=1S/C16H21FN2O3/c1-10(16(2)7-8-16)19(3)15(21)14(20)18-13-9-11(22-4)5-6-12(13)17/h5-6,9-10H,7-8H2,1-4H3,(H,18,20)/t10-/m0/s1
InChIKeyNRWNPIFTONXDQL-JTQLQIEISA-N
MW308.35 g/mol
LogP2.42
Rot. Bonds4

About N-(2-fluoro-5-methoxyphenyl)-N'-methyl-N'-[(1S)-1-(1-methylcyclopropyl)ethyl]oxamide

N-(2-fluoro-5-methoxyphenyl)-N'-methyl-N'-[(1S)-1-(1-methylcyclopropyl)ethyl]oxamide (PubChem CID 99635405) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is N-(2-fluoro-5-methoxyphenyl)-N'-methyl-N'-[(1S)-1-(1-methylcyclopropyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methoxyphenyl)-N'-methyl-N'-[(1S)-1-(1-methylcyclopropyl)ethyl]oxamide
PubChem CID99635405
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC NameN-(2-fluoro-5-methoxyphenyl)-N'-methyl-N'-[(1S)-1-(1-methylcyclopropyl)ethyl]oxamide
SMILESCOc1ccc(F)c(NC(=O)C(=O)N(C)[C@@H](C)C2(C)CC2)c1
InChIInChI=1S/C16H21FN2O3/c1-10(16(2)7-8-16)19(3)15(21)14(20)18-13-9-11(22-4)5-6-12(13)17/h5-6,9-10H,7-8H2,1-4H3,(H,18,20)/t10-/m0/s1
InChIKeyNRWNPIFTONXDQL-JTQLQIEISA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-fluoro-5-methoxyphenyl)-N'-methyl-N'-[(1S)-1-(1-methylcyclopropyl)ethyl]oxamide with MolForge

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Related Compounds

1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide
CID 80599519
2-(azetidin-3-yl)-N-(2-fluoro-5-methoxyphenyl)propanamide
CID 116678455
1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119788911
3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide
CID 113416369
4-(2-fluoro-5-methoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498802
1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide
CID 138619993
3-amino-N-(2-fluoro-5-methoxyphenyl)butanamide;hydrochloride
CID 119788930
1-carbamothioyl-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide
CID 80591492
N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide
CID 115687770
chloromethyl N-(2-fluoro-5-methoxyphenyl)carbamate
CID 164660390
N-(2-fluoro-5-methoxyphenyl)morpholine-4-carboxamide
CID 115687771
N-(3-ethynylphenyl)-N'-(2-fluoro-5-methoxyphenyl)oxamide
CID 99584775

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methoxyphenyl)-N'-methyl-N'-[(1S)-1-(1-methylcyclopropyl)ethyl]oxamide?
The IUPAC name of N-(2-fluoro-5-methoxyphenyl)-N'-methyl-N'-[(1S)-1-(1-methylcyclopropyl)ethyl]oxamide (CID 99635405) is N-(2-fluoro-5-methoxyphenyl)-N'-methyl-N'-[(1S)-1-(1-methylcyclopropyl)ethyl]oxamide.
What is the SMILES notation for N-(2-fluoro-5-methoxyphenyl)-N'-methyl-N'-[(1S)-1-(1-methylcyclopropyl)ethyl]oxamide?
The canonical SMILES for N-(2-fluoro-5-methoxyphenyl)-N'-methyl-N'-[(1S)-1-(1-methylcyclopropyl)ethyl]oxamide is COc1ccc(F)c(NC(=O)C(=O)N(C)[C@@H](C)C2(C)CC2)c1.
What is the InChIKey of N-(2-fluoro-5-methoxyphenyl)-N'-methyl-N'-[(1S)-1-(1-methylcyclopropyl)ethyl]oxamide?
The InChIKey is NRWNPIFTONXDQL-JTQLQIEISA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-10(16(2)7-8-16)19(3)15(21)14(20)18-13-9-11(22-4)5-6-12(13)17/h5-6,9-10H,7-8H2,1-4H3,(H,18,20)/t10-/m0/s1.
What are the key properties of N-(2-fluoro-5-methoxyphenyl)-N'-methyl-N'-[(1S)-1-(1-methylcyclopropyl)ethyl]oxamide?
N-(2-fluoro-5-methoxyphenyl)-N'-methyl-N'-[(1S)-1-(1-methylcyclopropyl)ethyl]oxamide has a molecular weight of 308.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methoxyphenyl)-N'-methyl-N'-[(1S)-1-(1-methylcyclopropyl)ethyl]oxamide is sourced from PubChem (CID 99635405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).