N-(1-benzofuran-3-ylmethyl)-2-chloro-5-fluoroaniline

C15H11ClFNO — CID 107527339

IUPACN-(1-benzofuran-3-ylmethyl)-2-chloro-5-fluoroaniline
SMILESFc1ccc(Cl)c(NCc2coc3ccccc23)c1
InChIInChI=1S/C15H11ClFNO/c16-13-6-5-11(17)7-14(13)18-8-10-9-19-15-4-2-1-3-12(10)15/h1-7,9,18H,8H2
InChIKeyBTPHGQQDUZKPOT-UHFFFAOYSA-N
MW275.71 g/mol
LogP4.84
Rot. Bonds3

About N-(1-benzofuran-3-ylmethyl)-2-chloro-5-fluoroaniline

N-(1-benzofuran-3-ylmethyl)-2-chloro-5-fluoroaniline (PubChem CID 107527339) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-2-chloro-5-fluoroaniline.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-2-chloro-5-fluoroaniline
PubChem CID107527339
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC NameN-(1-benzofuran-3-ylmethyl)-2-chloro-5-fluoroaniline
SMILESFc1ccc(Cl)c(NCc2coc3ccccc23)c1
InChIInChI=1S/C15H11ClFNO/c16-13-6-5-11(17)7-14(13)18-8-10-9-19-15-4-2-1-3-12(10)15/h1-7,9,18H,8H2
InChIKeyBTPHGQQDUZKPOT-UHFFFAOYSA-N
XLogP4.84
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methylaniline
CID 107630587
2-N-(1-benzofuran-3-ylmethyl)-4-fluorobenzene-1,2-diamine
CID 115124164
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methoxyaniline
CID 80701310
3-(1-benzofuran-3-ylmethylamino)-4-chlorobenzamide
CID 80700592
N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline
CID 80701548
N-(1-benzofuran-3-ylmethyl)-3-chloro-2-methylaniline
CID 80701190
N-(1-benzofuran-3-ylmethyl)-2,4,6-trifluoroaniline
CID 80701760
2-chloro-5-fluoro-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 103697091
N-(1-benzofuran-3-ylmethyl)-2-chloro-6-methylaniline
CID 80703405
N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine
CID 78963648
2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-fluoroaniline
CID 107527051
N-(1-benzofuran-3-ylmethyl)-2-propan-2-yloxyaniline
CID 80700432

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-2-chloro-5-fluoroaniline?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-2-chloro-5-fluoroaniline (CID 107527339) is N-(1-benzofuran-3-ylmethyl)-2-chloro-5-fluoroaniline.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-2-chloro-5-fluoroaniline?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-2-chloro-5-fluoroaniline is Fc1ccc(Cl)c(NCc2coc3ccccc23)c1.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-2-chloro-5-fluoroaniline?
The InChIKey is BTPHGQQDUZKPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO/c16-13-6-5-11(17)7-14(13)18-8-10-9-19-15-4-2-1-3-12(10)15/h1-7,9,18H,8H2.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-2-chloro-5-fluoroaniline?
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-fluoroaniline has a molecular weight of 275.71 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-2-chloro-5-fluoroaniline is sourced from PubChem (CID 107527339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).