N-[(2-chlorophenyl)methyl]-4-fluoroaniline

C13H11ClFN — CID 18778388

IUPACN-[(2-chlorophenyl)methyl]-4-fluoroaniline
SMILESFc1ccc(NCc2ccccc2Cl)cc1
InChIInChI=1S/C13H11ClFN/c14-13-4-2-1-3-10(13)9-16-12-7-5-11(15)6-8-12/h1-8,16H,9H2
InChIKeyDYLHNBFNWGXIQQ-UHFFFAOYSA-N
MW235.69 g/mol
LogP4.09
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-4-fluoroaniline

N-[(2-chlorophenyl)methyl]-4-fluoroaniline (PubChem CID 18778388) has the molecular formula C13H11ClFN and a molecular weight of 235.69 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-fluoroaniline
PubChem CID18778388
Molecular FormulaC13H11ClFN
Molecular Weight235.69 g/mol
Exact Mass235.06
IUPAC NameN-[(2-chlorophenyl)methyl]-4-fluoroaniline
SMILESFc1ccc(NCc2ccccc2Cl)cc1
InChIInChI=1S/C13H11ClFN/c14-13-4-2-1-3-10(13)9-16-12-7-5-11(15)6-8-12/h1-8,16H,9H2
InChIKeyDYLHNBFNWGXIQQ-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-fluoroaniline?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-fluoroaniline (CID 18778388) is N-[(2-chlorophenyl)methyl]-4-fluoroaniline.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-fluoroaniline?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-fluoroaniline is Fc1ccc(NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-fluoroaniline?
The InChIKey is DYLHNBFNWGXIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN/c14-13-4-2-1-3-10(13)9-16-12-7-5-11(15)6-8-12/h1-8,16H,9H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-4-fluoroaniline?
N-[(2-chlorophenyl)methyl]-4-fluoroaniline has a molecular weight of 235.69 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-fluoroaniline is sourced from PubChem (CID 18778388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).