2,4,5-trichloro-N-(furan-3-ylmethyl)aniline

C11H8Cl3NO — CID 63203660

IUPAC2,4,5-trichloro-N-(furan-3-ylmethyl)aniline
SMILESClc1cc(Cl)c(NCc2ccoc2)cc1Cl
InChIInChI=1S/C11H8Cl3NO/c12-8-3-10(14)11(4-9(8)13)15-5-7-1-2-16-6-7/h1-4,6,15H,5H2
InChIKeySQVAPFQBLDGFLR-UHFFFAOYSA-N
MW276.55 g/mol
LogP4.85
Rot. Bonds3

About 2,4,5-trichloro-N-(furan-3-ylmethyl)aniline

2,4,5-trichloro-N-(furan-3-ylmethyl)aniline (PubChem CID 63203660) has the molecular formula C11H8Cl3NO and a molecular weight of 276.55 g/mol. Its IUPAC name is 2,4,5-trichloro-N-(furan-3-ylmethyl)aniline.

Molecular Properties

Compound Name2,4,5-trichloro-N-(furan-3-ylmethyl)aniline
PubChem CID63203660
Molecular FormulaC11H8Cl3NO
Molecular Weight276.55 g/mol
Exact Mass274.97
IUPAC Name2,4,5-trichloro-N-(furan-3-ylmethyl)aniline
SMILESClc1cc(Cl)c(NCc2ccoc2)cc1Cl
InChIInChI=1S/C11H8Cl3NO/c12-8-3-10(14)11(4-9(8)13)15-5-7-1-2-16-6-7/h1-4,6,15H,5H2
InChIKeySQVAPFQBLDGFLR-UHFFFAOYSA-N
XLogP4.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.55
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 903579
4-chloro-N-[1-(furan-3-yl)but-3-enyl]aniline
CID 24878769
4-chloro-N-(furan-3-ylmethyl)aniline
CID 44451044
2-chloro-N-(furan-3-ylmethyl)-4-(trifluoromethyl)aniline
CID 55163791
4-chloro-N-(furan-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 63203873
2-chloro-N-(furan-3-ylmethyl)-5-(trifluoromethyl)aniline
CID 63204085
5-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline
CID 63204161
3-chloro-4-fluoro-N-(furan-3-ylmethyl)aniline
CID 63204249
3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline
CID 63204297
4-chloro-3-fluoro-N-(furan-3-ylmethyl)aniline
CID 63204357
2-chloro-4-fluoro-N-(furan-3-ylmethyl)aniline
CID 63204483
4-chloro-N-(furan-3-ylmethyl)-3-(trifluoromethyl)aniline
CID 63204485

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-N-(furan-3-ylmethyl)aniline?
The IUPAC name of 2,4,5-trichloro-N-(furan-3-ylmethyl)aniline (CID 63203660) is 2,4,5-trichloro-N-(furan-3-ylmethyl)aniline.
What is the SMILES notation for 2,4,5-trichloro-N-(furan-3-ylmethyl)aniline?
The canonical SMILES for 2,4,5-trichloro-N-(furan-3-ylmethyl)aniline is Clc1cc(Cl)c(NCc2ccoc2)cc1Cl.
What is the InChIKey of 2,4,5-trichloro-N-(furan-3-ylmethyl)aniline?
The InChIKey is SQVAPFQBLDGFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3NO/c12-8-3-10(14)11(4-9(8)13)15-5-7-1-2-16-6-7/h1-4,6,15H,5H2.
What are the key properties of 2,4,5-trichloro-N-(furan-3-ylmethyl)aniline?
2,4,5-trichloro-N-(furan-3-ylmethyl)aniline has a molecular weight of 276.55 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-N-(furan-3-ylmethyl)aniline is sourced from PubChem (CID 63203660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).