N'-(2,2-difluoroethyl)-N-(2-methylquinolin-8-yl)-N'-propan-2-yloxamide

C17H19F2N3O2 — CID 86818203

IUPACN'-(2,2-difluoroethyl)-N-(2-methylquinolin-8-yl)-N'-propan-2-yloxamide
SMILESCc1ccc2cccc(NC(=O)C(=O)N(CC(F)F)C(C)C)c2n1
InChIInChI=1S/C17H19F2N3O2/c1-10(2)22(9-14(18)19)17(24)16(23)21-13-6-4-5-12-8-7-11(3)20-15(12)13/h4-8,10,14H,9H2,1-3H3,(H,21,23)
InChIKeyHGHFRZSEBNXINX-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.98
Rot. Bonds4

About N'-(2,2-difluoroethyl)-N-(2-methylquinolin-8-yl)-N'-propan-2-yloxamide

N'-(2,2-difluoroethyl)-N-(2-methylquinolin-8-yl)-N'-propan-2-yloxamide (PubChem CID 86818203) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N-(2-methylquinolin-8-yl)-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N-(2-methylquinolin-8-yl)-N'-propan-2-yloxamide
PubChem CID86818203
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC NameN'-(2,2-difluoroethyl)-N-(2-methylquinolin-8-yl)-N'-propan-2-yloxamide
SMILESCc1ccc2cccc(NC(=O)C(=O)N(CC(F)F)C(C)C)c2n1
InChIInChI=1S/C17H19F2N3O2/c1-10(2)22(9-14(18)19)17(24)16(23)21-13-6-4-5-12-8-7-11(3)20-15(12)13/h4-8,10,14H,9H2,1-3H3,(H,21,23)
InChIKeyHGHFRZSEBNXINX-UHFFFAOYSA-N
XLogP2.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 79201712
methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate
CID 112617186
2-amino-N-(2-methylquinolin-8-yl)acetamide
CID 62952419
3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid
CID 62953963
N-(2-methylquinolin-8-yl)-3-(propan-2-ylamino)propanamide
CID 62954985
(2R)-2-amino-3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide
CID 103929864
2-methoxy-N-(2-methylquinolin-8-yl)acetamide
CID 62999446
3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide
CID 110734160
2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]propanamide
CID 17274622
1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116655765
2-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)acetamide
CID 110734154
2-[(2-methylquinolin-8-yl)amino]propanoic acid
CID 66173350

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N-(2-methylquinolin-8-yl)-N'-propan-2-yloxamide?
The IUPAC name of N'-(2,2-difluoroethyl)-N-(2-methylquinolin-8-yl)-N'-propan-2-yloxamide (CID 86818203) is N'-(2,2-difluoroethyl)-N-(2-methylquinolin-8-yl)-N'-propan-2-yloxamide.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N-(2-methylquinolin-8-yl)-N'-propan-2-yloxamide?
The canonical SMILES for N'-(2,2-difluoroethyl)-N-(2-methylquinolin-8-yl)-N'-propan-2-yloxamide is Cc1ccc2cccc(NC(=O)C(=O)N(CC(F)F)C(C)C)c2n1.
What is the InChIKey of N'-(2,2-difluoroethyl)-N-(2-methylquinolin-8-yl)-N'-propan-2-yloxamide?
The InChIKey is HGHFRZSEBNXINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-10(2)22(9-14(18)19)17(24)16(23)21-13-6-4-5-12-8-7-11(3)20-15(12)13/h4-8,10,14H,9H2,1-3H3,(H,21,23).
What are the key properties of N'-(2,2-difluoroethyl)-N-(2-methylquinolin-8-yl)-N'-propan-2-yloxamide?
N'-(2,2-difluoroethyl)-N-(2-methylquinolin-8-yl)-N'-propan-2-yloxamide has a molecular weight of 335.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N-(2-methylquinolin-8-yl)-N'-propan-2-yloxamide is sourced from PubChem (CID 86818203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).