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

C17H13Cl3N2O — CID 175725481

IUPACN-[(6-chloro-3-pyridinyl)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-3-amine
SMILESClc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)c2ccoc2)cn1
InChIInChI=1S/C17H13Cl3N2O/c18-15-3-1-12(7-16(15)19)9-22(14-5-6-23-11-14)10-13-2-4-17(20)21-8-13/h1-8,11H,9-10H2
InChIKeyDYOCTQGJUCIVNQ-UHFFFAOYSA-N
MW367.66 g/mol
LogP5.84
Rot. Bonds5

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

N-[(6-chloro-3-pyridinyl)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-3-amine (PubChem CID 175725481) has the molecular formula C17H13Cl3N2O and a molecular weight of 367.66 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-3-amine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-3-amine
PubChem CID175725481
Molecular FormulaC17H13Cl3N2O
Molecular Weight367.66 g/mol
Exact Mass366.01
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-3-amine
SMILESClc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)c2ccoc2)cn1
InChIInChI=1S/C17H13Cl3N2O/c18-15-3-1-12(7-16(15)19)9-22(14-5-6-23-11-14)10-13-2-4-17(20)21-8-13/h1-8,11H,9-10H2
InChIKeyDYOCTQGJUCIVNQ-UHFFFAOYSA-N
XLogP5.84
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.66
LogP ≤ 55.84
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-[(2,4,6-trifluorophenyl)methyl]furan-3-amine
CID 175725650
N-[(6-chloro-3-pyridinyl)methyl]-N-[(2,6-difluorophenyl)methyl]furan-3-amine
CID 175725518
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
4-[(6-chloro-3-pyridinyl)methyl-ethylamino]-5H-1,3-oxazol-2-one
CID 87081121
[5-chloro-6-[furan-3-ylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 61422350
3-[N-[(6-chloro-3-pyridinyl)methyl]anilino]propan-1-ol
CID 111859985
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
2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine
CID 178122205
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 60719313
(6-chloro-3-pyridinyl)methyl-methylcyanamide
CID 119085201
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-[(3,4-dichlorophenyl)methyl]furan-3-amine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-3-amine (CID 175725481) is N-[(6-chloro-3-pyridinyl)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-3-amine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-3-amine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-3-amine is Clc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)c2ccoc2)cn1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-3-amine?
The InChIKey is DYOCTQGJUCIVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N2O/c18-15-3-1-12(7-16(15)19)9-22(14-5-6-23-11-14)10-13-2-4-17(20)21-8-13/h1-8,11H,9-10H2.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-3-amine?
N-[(6-chloro-3-pyridinyl)methyl]-N-[(3,4-dichlorophenyl)methyl]furan-3-amine has a molecular weight of 367.66 g/mol, XLogP of 5.84, 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-[(3,4-dichlorophenyl)methyl]furan-3-amine is sourced from PubChem (CID 175725481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).