2-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methylquinoline-6-carboxamide

C19H15ClF2N2O — CID 55731326

IUPAC2-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methylquinoline-6-carboxamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C19H15ClF2N2O/c1-11(12-3-6-15(21)16(22)10-12)24(2)19(25)14-4-7-17-13(9-14)5-8-18(20)23-17/h3-11H,1-2H3
InChIKeyMBRFGBFQYAAUNT-UHFFFAOYSA-N
MW360.79 g/mol
LogP5.00
Rot. Bonds3

About 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methylquinoline-6-carboxamide

2-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methylquinoline-6-carboxamide (PubChem CID 55731326) has the molecular formula C19H15ClF2N2O and a molecular weight of 360.79 g/mol. Its IUPAC name is 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methylquinoline-6-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methylquinoline-6-carboxamide
PubChem CID55731326
Molecular FormulaC19H15ClF2N2O
Molecular Weight360.79 g/mol
Exact Mass360.08
IUPAC Name2-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methylquinoline-6-carboxamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C19H15ClF2N2O/c1-11(12-3-6-15(21)16(22)10-12)24(2)19(25)14-4-7-17-13(9-14)5-8-18(20)23-17/h3-11H,1-2H3
InChIKeyMBRFGBFQYAAUNT-UHFFFAOYSA-N
XLogP5.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.79
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 60735316
N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 46513201
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625425
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134052946
N-[1-(3-chlorophenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 46591279
2-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylquinoline-6-carboxamide
CID 55730341
6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103874208
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide
CID 55509693
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methylquinoxaline-2-carboxamide
CID 31351364
N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide
CID 46523132
3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide
CID 61139880
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46513080

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methylquinoline-6-carboxamide?
The IUPAC name of 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methylquinoline-6-carboxamide (CID 55731326) is 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methylquinoline-6-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methylquinoline-6-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methylquinoline-6-carboxamide is CC(c1ccc(F)c(F)c1)N(C)C(=O)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methylquinoline-6-carboxamide?
The InChIKey is MBRFGBFQYAAUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N2O/c1-11(12-3-6-15(21)16(22)10-12)24(2)19(25)14-4-7-17-13(9-14)5-8-18(20)23-17/h3-11H,1-2H3.
What are the key properties of 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methylquinoline-6-carboxamide?
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methylquinoline-6-carboxamide has a molecular weight of 360.79 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methylquinoline-6-carboxamide is sourced from PubChem (CID 55731326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).