N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-phenylmethanamine

C18H15ClFNO — CID 4724544

IUPACN-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-phenylmethanamine
SMILESFc1ccc(-c2ccc(CNCc3ccccc3)o2)cc1Cl
InChIInChI=1S/C18H15ClFNO/c19-16-10-14(6-8-17(16)20)18-9-7-15(22-18)12-21-11-13-4-2-1-3-5-13/h1-10,21H,11-12H2
InChIKeyPFRKMAYOPVWGRT-UHFFFAOYSA-N
MW315.78 g/mol
LogP5.03
Rot. Bonds5

About N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-phenylmethanamine

N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-phenylmethanamine (PubChem CID 4724544) has the molecular formula C18H15ClFNO and a molecular weight of 315.78 g/mol. Its IUPAC name is N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-phenylmethanamine
PubChem CID4724544
Molecular FormulaC18H15ClFNO
Molecular Weight315.78 g/mol
Exact Mass315.08
IUPAC NameN-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-phenylmethanamine
SMILESFc1ccc(-c2ccc(CNCc3ccccc3)o2)cc1Cl
InChIInChI=1S/C18H15ClFNO/c19-16-10-14(6-8-17(16)20)18-9-7-15(22-18)12-21-11-13-4-2-1-3-5-13/h1-10,21H,11-12H2
InChIKeyPFRKMAYOPVWGRT-UHFFFAOYSA-N
XLogP5.03
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.78
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-phenylmethanamine (CID 4724544) is N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-phenylmethanamine is Fc1ccc(-c2ccc(CNCc3ccccc3)o2)cc1Cl.
What is the InChIKey of N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-phenylmethanamine?
The InChIKey is PFRKMAYOPVWGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO/c19-16-10-14(6-8-17(16)20)18-9-7-15(22-18)12-21-11-13-4-2-1-3-5-13/h1-10,21H,11-12H2.
What are the key properties of N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-phenylmethanamine?
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-phenylmethanamine has a molecular weight of 315.78 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 4724544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).