6-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-8-carboxamide

C19H15ClF2N2O2 — CID 55875327

IUPAC6-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-8-carboxamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C19H15ClF2N2O2/c1-24(11-12-4-6-15(7-5-12)26-19(21)22)18(25)16-10-14(20)9-13-3-2-8-23-17(13)16/h2-10,19H,11H2,1H3
InChIKeyWXBYBLHSMLUYFE-UHFFFAOYSA-N
MW376.79 g/mol
LogP4.76
Rot. Bonds5

About 6-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-8-carboxamide

6-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-8-carboxamide (PubChem CID 55875327) has the molecular formula C19H15ClF2N2O2 and a molecular weight of 376.79 g/mol. Its IUPAC name is 6-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-8-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-8-carboxamide
PubChem CID55875327
Molecular FormulaC19H15ClF2N2O2
Molecular Weight376.79 g/mol
Exact Mass376.08
IUPAC Name6-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-8-carboxamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C19H15ClF2N2O2/c1-24(11-12-4-6-15(7-5-12)26-19(21)22)18(25)16-10-14(20)9-13-3-2-8-23-17(13)16/h2-10,19H,11H2,1H3
InChIKeyWXBYBLHSMLUYFE-UHFFFAOYSA-N
XLogP4.76
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.79
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 134059081
5-chloro-2-(difluoromethoxy)-N-[[3-(difluoromethoxy)phenyl]methyl]-N-methylpyridine-3-carboxamide
CID 171547573
2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631218
2-(3,5-dichlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 112778072
6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N-methylquinoline-8-carboxamide
CID 110003642
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide
CID 35683846
1-[[4-(difluoromethoxy)phenyl]methyl]-1,2-dimethyl-3-(2-quinolin-8-ylethyl)guanidine
CID 111288521
2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-4-carboxamide
CID 31361414
6-chloro-N'-[2-(4-fluorophenoxy)propanoyl]quinoline-8-carbohydrazide
CID 55880421
N-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide
CID 9205470
N-[[4-(difluoromethoxy)phenyl]methyl]-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31238666
4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55206157

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-8-carboxamide?
The IUPAC name of 6-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-8-carboxamide (CID 55875327) is 6-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-8-carboxamide.
What is the SMILES notation for 6-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-8-carboxamide?
The canonical SMILES for 6-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-8-carboxamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc(Cl)cc2cccnc12.
What is the InChIKey of 6-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-8-carboxamide?
The InChIKey is WXBYBLHSMLUYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N2O2/c1-24(11-12-4-6-15(7-5-12)26-19(21)22)18(25)16-10-14(20)9-13-3-2-8-23-17(13)16/h2-10,19H,11H2,1H3.
What are the key properties of 6-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-8-carboxamide?
6-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-8-carboxamide has a molecular weight of 376.79 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-8-carboxamide is sourced from PubChem (CID 55875327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).