N-(2-chloroethyl)-N-(2,2-difluoroethyl)quinoline-2-carboxamide

C14H13ClF2N2O — CID 107491243

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)quinoline-2-carboxamide
SMILESO=C(c1ccc2ccccc2n1)N(CCCl)CC(F)F
InChIInChI=1S/C14H13ClF2N2O/c15-7-8-19(9-13(16)17)14(20)12-6-5-10-3-1-2-4-11(10)18-12/h1-6,13H,7-9H2
InChIKeyCCTGZNMTDJSIPU-UHFFFAOYSA-N
MW298.72 g/mol
LogP3.18
Rot. Bonds5

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)quinoline-2-carboxamide

N-(2-chloroethyl)-N-(2,2-difluoroethyl)quinoline-2-carboxamide (PubChem CID 107491243) has the molecular formula C14H13ClF2N2O and a molecular weight of 298.72 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)quinoline-2-carboxamide
PubChem CID107491243
Molecular FormulaC14H13ClF2N2O
Molecular Weight298.72 g/mol
Exact Mass298.07
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)quinoline-2-carboxamide
SMILESO=C(c1ccc2ccccc2n1)N(CCCl)CC(F)F
InChIInChI=1S/C14H13ClF2N2O/c15-7-8-19(9-13(16)17)14(20)12-6-5-10-3-1-2-4-11(10)18-12/h1-6,13H,7-9H2
InChIKeyCCTGZNMTDJSIPU-UHFFFAOYSA-N
XLogP3.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-(2,2-difluoroethyl)quinoline-2-carboxamide
CID 107491794
N-(3-chloropropyl)-N-cyclobutylquinoline-2-carboxamide
CID 102872000
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylsulfanylbenzamide
CID 107490901
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluorobenzamide
CID 107491097
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-carboxamide
CID 107490956
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 107491458
N-(2-bromopropyl)-N-methylquinoline-2-carboxamide
CID 80665612
N-ethyl-N-methylquinoline-2-carboxamide
CID 19793658
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1-benzothiophene-3-carboxamide
CID 107490860
copper;quinoline-2-carboxylic acid
CID 68537473
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 107490905
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylpyrazole-3-carboxamide
CID 107491265

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)quinoline-2-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)quinoline-2-carboxamide (CID 107491243) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)quinoline-2-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)quinoline-2-carboxamide is O=C(c1ccc2ccccc2n1)N(CCCl)CC(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)quinoline-2-carboxamide?
The InChIKey is CCTGZNMTDJSIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2O/c15-7-8-19(9-13(16)17)14(20)12-6-5-10-3-1-2-4-11(10)18-12/h1-6,13H,7-9H2.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)quinoline-2-carboxamide?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)quinoline-2-carboxamide has a molecular weight of 298.72 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2-difluoroethyl)quinoline-2-carboxamide is sourced from PubChem (CID 107491243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).