N-(3-chloro-2-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

C16H20ClFN2O — CID 66470974

IUPACN-(3-chloro-2-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1F)C1CCC2CCCCC2N1
InChIInChI=1S/C16H20ClFN2O/c17-11-5-3-7-13(15(11)18)20-16(21)14-9-8-10-4-1-2-6-12(10)19-14/h3,5,7,10,12,14,19H,1-2,4,6,8-9H2,(H,20,21)
InChIKeyOPBRRTBDSBDDHO-UHFFFAOYSA-N
MW310.80 g/mol
LogP3.73
Rot. Bonds2

About N-(3-chloro-2-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

N-(3-chloro-2-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (PubChem CID 66470974) has the molecular formula C16H20ClFN2O and a molecular weight of 310.80 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
PubChem CID66470974
Molecular FormulaC16H20ClFN2O
Molecular Weight310.80 g/mol
Exact Mass310.12
IUPAC NameN-(3-chloro-2-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1F)C1CCC2CCCCC2N1
InChIInChI=1S/C16H20ClFN2O/c17-11-5-3-7-13(15(11)18)20-16(21)14-9-8-10-4-1-2-6-12(10)19-14/h3,5,7,10,12,14,19H,1-2,4,6,8-9H2,(H,20,21)
InChIKeyOPBRRTBDSBDDHO-UHFFFAOYSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-chloro-2-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide with MolForge

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Related Compounds

N-(2,3-dichlorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470161
N-(2-chloro-5-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 107528545
(2R)-N-(3-chloro-2-fluorophenyl)piperidine-2-carboxamide
CID 28969312
N-(2-hydroxy-3-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 79590364
N-(3-bromo-2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 107625159
N-(2,6-dimethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470360
N-(3-chloro-2-fluorophenyl)piperidine-4-carboxamide
CID 28969320
N-(2,4-dimethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471167
N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892616
N-(3-ethynylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469161
N-(6-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469560
N-(4-bromophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471768

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (CID 66470974) is N-(3-chloro-2-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is O=C(Nc1cccc(Cl)c1F)C1CCC2CCCCC2N1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The InChIKey is OPBRRTBDSBDDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O/c17-11-5-3-7-13(15(11)18)20-16(21)14-9-8-10-4-1-2-6-12(10)19-14/h3,5,7,10,12,14,19H,1-2,4,6,8-9H2,(H,20,21).
What are the key properties of N-(3-chloro-2-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
N-(3-chloro-2-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide has a molecular weight of 310.80 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is sourced from PubChem (CID 66470974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).