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

C17H13ClF2N2O — CID 175725518

IUPACN-[(6-chloro-3-pyridinyl)methyl]-N-[(2,6-difluorophenyl)methyl]furan-3-amine
SMILESFc1cccc(F)c1CN(Cc1ccc(Cl)nc1)c1ccoc1
InChIInChI=1S/C17H13ClF2N2O/c18-17-5-4-12(8-21-17)9-22(13-6-7-23-11-13)10-14-15(19)2-1-3-16(14)20/h1-8,11H,9-10H2
InChIKeyZEGDLFFBHHNBRY-UHFFFAOYSA-N
MW334.75 g/mol
LogP4.81
Rot. Bonds5

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

N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,6-difluorophenyl)methyl]furan-3-amine (PubChem CID 175725518) has the molecular formula C17H13ClF2N2O and a molecular weight of 334.75 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,6-difluorophenyl)methyl]furan-3-amine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-N-[(2,6-difluorophenyl)methyl]furan-3-amine
PubChem CID175725518
Molecular FormulaC17H13ClF2N2O
Molecular Weight334.75 g/mol
Exact Mass334.07
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-N-[(2,6-difluorophenyl)methyl]furan-3-amine
SMILESFc1cccc(F)c1CN(Cc1ccc(Cl)nc1)c1ccoc1
InChIInChI=1S/C17H13ClF2N2O/c18-17-5-4-12(8-21-17)9-22(13-6-7-23-11-13)10-14-15(19)2-1-3-16(14)20/h1-8,11H,9-10H2
InChIKeyZEGDLFFBHHNBRY-UHFFFAOYSA-N
XLogP4.81
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.75
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,6-difluorophenyl)methyl]furan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-fluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 56724069
N-[(2-fluorophenyl)methyl]-N-(furan-3-ylmethyl)-1-pyridin-3-ylmethanamine
CID 95857603
N-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]furan-3-amine
CID 68731001
N-[(6-bromo-5-fluoro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine
CID 87555107
4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine
CID 87615190
N-[(5,6-dichloro-3-pyridinyl)methyl]-N-(2-fluoroethyl)furan-3-amine
CID 87615479
N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-cyclopropylfuran-3-amine
CID 87616050
N-[(6-chloropyridin-3-yl)methyl]-N-(2,2-difluoroethyl)furan-3-amine
CID 89242861
N-(2,2-difluoroethyl)-N-[(6-fluoropyridin-3-yl)methyl]furan-3-amine
CID 90831983
N-[(6-chloro-3-pyridinyl)methyl]-N-(2-fluoroethenyl)-2-methylfuran-3-amine
CID 140143629
N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-methylfuran-3-amine
CID 141185429
N-[(6-chloro-5-fluoro-3-pyridinyl)methyl]-N-(2,2-difluoroethyl)furan-3-amine
CID 141190701

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,6-difluorophenyl)methyl]furan-3-amine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,6-difluorophenyl)methyl]furan-3-amine (CID 175725518) is N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,6-difluorophenyl)methyl]furan-3-amine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,6-difluorophenyl)methyl]furan-3-amine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,6-difluorophenyl)methyl]furan-3-amine is Fc1cccc(F)c1CN(Cc1ccc(Cl)nc1)c1ccoc1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,6-difluorophenyl)methyl]furan-3-amine?
The InChIKey is ZEGDLFFBHHNBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N2O/c18-17-5-4-12(8-21-17)9-22(13-6-7-23-11-13)10-14-15(19)2-1-3-16(14)20/h1-8,11H,9-10H2.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,6-difluorophenyl)methyl]furan-3-amine?
N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,6-difluorophenyl)methyl]furan-3-amine has a molecular weight of 334.75 g/mol, XLogP of 4.81, 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-[(2,6-difluorophenyl)methyl]furan-3-amine is sourced from PubChem (CID 175725518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).