N'-[(2-chloro-6-fluorophenyl)methyl]-N'-methyl-N-(8-methylquinolin-5-yl)oxamide

C20H17ClFN3O2 — CID 86769878

IUPACN'-[(2-chloro-6-fluorophenyl)methyl]-N'-methyl-N-(8-methylquinolin-5-yl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N(C)Cc2c(F)cccc2Cl)c2cccnc12
InChIInChI=1S/C20H17ClFN3O2/c1-12-8-9-17(13-5-4-10-23-18(12)13)24-19(26)20(27)25(2)11-14-15(21)6-3-7-16(14)22/h3-10H,11H2,1-2H3,(H,24,26)
InChIKeyPMJZRKGAMOJCFY-UHFFFAOYSA-N
MW385.83 g/mol
LogP3.93
Rot. Bonds3

About N'-[(2-chloro-6-fluorophenyl)methyl]-N'-methyl-N-(8-methylquinolin-5-yl)oxamide

N'-[(2-chloro-6-fluorophenyl)methyl]-N'-methyl-N-(8-methylquinolin-5-yl)oxamide (PubChem CID 86769878) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is N'-[(2-chloro-6-fluorophenyl)methyl]-N'-methyl-N-(8-methylquinolin-5-yl)oxamide.

Molecular Properties

Compound NameN'-[(2-chloro-6-fluorophenyl)methyl]-N'-methyl-N-(8-methylquinolin-5-yl)oxamide
PubChem CID86769878
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC NameN'-[(2-chloro-6-fluorophenyl)methyl]-N'-methyl-N-(8-methylquinolin-5-yl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N(C)Cc2c(F)cccc2Cl)c2cccnc12
InChIInChI=1S/C20H17ClFN3O2/c1-12-8-9-17(13-5-4-10-23-18(12)13)24-19(26)20(27)25(2)11-14-15(21)6-3-7-16(14)22/h3-10H,11H2,1-2H3,(H,24,26)
InChIKeyPMJZRKGAMOJCFY-UHFFFAOYSA-N
XLogP3.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 53.93
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

3-(2-chloro-6-fluorophenyl)-5-methyl-N-(8-methylquinolin-5-yl)-1,2-oxazole-4-carboxamide
CID 38277078
1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea
CID 51116678
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103753872
1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea
CID 17393832
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-aminothieno[2,3-b]pyridine-2-carboxylate
CID 75455884
N-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide
CID 51162479
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18112160
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(8-methylquinolin-5-yl)benzamide
CID 38277954
N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-fluoro-4-methylanilino)-N-methylpropanamide
CID 112811066
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115496956

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chloro-6-fluorophenyl)methyl]-N'-methyl-N-(8-methylquinolin-5-yl)oxamide?
The IUPAC name of N'-[(2-chloro-6-fluorophenyl)methyl]-N'-methyl-N-(8-methylquinolin-5-yl)oxamide (CID 86769878) is N'-[(2-chloro-6-fluorophenyl)methyl]-N'-methyl-N-(8-methylquinolin-5-yl)oxamide.
What is the SMILES notation for N'-[(2-chloro-6-fluorophenyl)methyl]-N'-methyl-N-(8-methylquinolin-5-yl)oxamide?
The canonical SMILES for N'-[(2-chloro-6-fluorophenyl)methyl]-N'-methyl-N-(8-methylquinolin-5-yl)oxamide is Cc1ccc(NC(=O)C(=O)N(C)Cc2c(F)cccc2Cl)c2cccnc12.
What is the InChIKey of N'-[(2-chloro-6-fluorophenyl)methyl]-N'-methyl-N-(8-methylquinolin-5-yl)oxamide?
The InChIKey is PMJZRKGAMOJCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c1-12-8-9-17(13-5-4-10-23-18(12)13)24-19(26)20(27)25(2)11-14-15(21)6-3-7-16(14)22/h3-10H,11H2,1-2H3,(H,24,26).
What are the key properties of N'-[(2-chloro-6-fluorophenyl)methyl]-N'-methyl-N-(8-methylquinolin-5-yl)oxamide?
N'-[(2-chloro-6-fluorophenyl)methyl]-N'-methyl-N-(8-methylquinolin-5-yl)oxamide has a molecular weight of 385.83 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chloro-6-fluorophenyl)methyl]-N'-methyl-N-(8-methylquinolin-5-yl)oxamide is sourced from PubChem (CID 86769878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).