N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,4,6-trifluorophenyl)methyl]furan-3-amine

C17H12ClF3N2O — CID 175725650

IUPACN-[(6-chloro-3-pyridinyl)methyl]-N-[(2,4,6-trifluorophenyl)methyl]furan-3-amine
SMILESFc1cc(F)c(CN(Cc2ccc(Cl)nc2)c2ccoc2)c(F)c1
InChIInChI=1S/C17H12ClF3N2O/c18-17-2-1-11(7-22-17)8-23(13-3-4-24-10-13)9-14-15(20)5-12(19)6-16(14)21/h1-7,10H,8-9H2
InChIKeyWXWGYHGUAXKMKM-UHFFFAOYSA-N
MW352.74 g/mol
LogP4.95
Rot. Bonds5

About N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,4,6-trifluorophenyl)methyl]furan-3-amine

N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,4,6-trifluorophenyl)methyl]furan-3-amine (PubChem CID 175725650) has the molecular formula C17H12ClF3N2O and a molecular weight of 352.74 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,4,6-trifluorophenyl)methyl]furan-3-amine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-N-[(2,4,6-trifluorophenyl)methyl]furan-3-amine
PubChem CID175725650
Molecular FormulaC17H12ClF3N2O
Molecular Weight352.74 g/mol
Exact Mass352.06
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-N-[(2,4,6-trifluorophenyl)methyl]furan-3-amine
SMILESFc1cc(F)c(CN(Cc2ccc(Cl)nc2)c2ccoc2)c(F)c1
InChIInChI=1S/C17H12ClF3N2O/c18-17-2-1-11(7-22-17)8-23(13-3-4-24-10-13)9-14-15(20)5-12(19)6-16(14)21/h1-7,10H,8-9H2
InChIKeyWXWGYHGUAXKMKM-UHFFFAOYSA-N
XLogP4.95
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.74
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,6-difluorophenyl)methyl]furan-3-amine
CID 175725518
N-[(6-chloro-3-pyridinyl)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-3-amine
CID 175725481
N-(2,2-dibromoethyl)-N-[(6-fluoro-3-pyridinyl)methyl]furan-3-amine
CID 141291477
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 60719313
N-[(6-chloro-3-pyridinyl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 28802343
N-[(6-chloro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)-2-methylfuran-3-amine
CID 141191912
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
3-[(6-chloro-3-pyridinyl)methyl-[[2-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]methyl]amino]-2H-furan-5-one
CID 155301337
4-[(6-chloro-3-pyridinyl)methyl-ethylamino]-5H-1,3-oxazol-2-one
CID 87081121
1-(6-chloro-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine
CID 61426881
3-[N-[(6-chloro-3-pyridinyl)methyl]anilino]propan-1-ol
CID 111859985
4-[(6-chloro-3-pyridinyl)methyl-(2,2,2-trifluoroethyl)amino]-3H-1,3-oxazol-2-one
CID 123867893

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,4,6-trifluorophenyl)methyl]furan-3-amine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,4,6-trifluorophenyl)methyl]furan-3-amine (CID 175725650) is N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,4,6-trifluorophenyl)methyl]furan-3-amine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,4,6-trifluorophenyl)methyl]furan-3-amine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,4,6-trifluorophenyl)methyl]furan-3-amine is Fc1cc(F)c(CN(Cc2ccc(Cl)nc2)c2ccoc2)c(F)c1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,4,6-trifluorophenyl)methyl]furan-3-amine?
The InChIKey is WXWGYHGUAXKMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O/c18-17-2-1-11(7-22-17)8-23(13-3-4-24-10-13)9-14-15(20)5-12(19)6-16(14)21/h1-7,10H,8-9H2.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,4,6-trifluorophenyl)methyl]furan-3-amine?
N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,4,6-trifluorophenyl)methyl]furan-3-amine has a molecular weight of 352.74 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,4,6-trifluorophenyl)methyl]furan-3-amine is sourced from PubChem (CID 175725650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).