N-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline

C17H14F2N2 — CID 63667721

IUPACN-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline
SMILESFc1cccc(CNc2cccc(-n3cccc3)c2)c1F
InChIInChI=1S/C17H14F2N2/c18-16-8-3-5-13(17(16)19)12-20-14-6-4-7-15(11-14)21-9-1-2-10-21/h1-11,20H,12H2
InChIKeyLNBHDIMIPGTCEF-UHFFFAOYSA-N
MW284.31 g/mol
LogP4.37
Rot. Bonds4

About N-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline

N-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline (PubChem CID 63667721) has the molecular formula C17H14F2N2 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline
PubChem CID63667721
Molecular FormulaC17H14F2N2
Molecular Weight284.31 g/mol
Exact Mass284.11
IUPAC NameN-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline
SMILESFc1cccc(CNc2cccc(-n3cccc3)c2)c1F
InChIInChI=1S/C17H14F2N2/c18-16-8-3-5-13(17(16)19)12-20-14-6-4-7-15(11-14)21-9-1-2-10-21/h1-11,20H,12H2
InChIKeyLNBHDIMIPGTCEF-UHFFFAOYSA-N
XLogP4.37
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline (CID 63667721) is N-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline is Fc1cccc(CNc2cccc(-n3cccc3)c2)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline?
The InChIKey is LNBHDIMIPGTCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2/c18-16-8-3-5-13(17(16)19)12-20-14-6-4-7-15(11-14)21-9-1-2-10-21/h1-11,20H,12H2.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline?
N-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline has a molecular weight of 284.31 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline is sourced from PubChem (CID 63667721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).