4-[(5-chloro-2-fluoroanilino)methyl]phenol

C13H11ClFNO — CID 43438420

IUPAC4-[(5-chloro-2-fluoroanilino)methyl]phenol
SMILESOc1ccc(CNc2cc(Cl)ccc2F)cc1
InChIInChI=1S/C13H11ClFNO/c14-10-3-6-12(15)13(7-10)16-8-9-1-4-11(17)5-2-9/h1-7,16-17H,8H2
InChIKeyQLFKHTFNPVPAOZ-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.80
Rot. Bonds3

About 4-[(5-chloro-2-fluoroanilino)methyl]phenol

4-[(5-chloro-2-fluoroanilino)methyl]phenol (PubChem CID 43438420) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 4-[(5-chloro-2-fluoroanilino)methyl]phenol.

Molecular Properties

Compound Name4-[(5-chloro-2-fluoroanilino)methyl]phenol
PubChem CID43438420
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name4-[(5-chloro-2-fluoroanilino)methyl]phenol
SMILESOc1ccc(CNc2cc(Cl)ccc2F)cc1
InChIInChI=1S/C13H11ClFNO/c14-10-3-6-12(15)13(7-10)16-8-9-1-4-11(17)5-2-9/h1-7,16-17H,8H2
InChIKeyQLFKHTFNPVPAOZ-UHFFFAOYSA-N
XLogP3.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
CID 43381912
4-[(5-chloro-2-nitroanilino)methyl]phenol
CID 43685982
4-[(2,5-difluoro-4-methylanilino)methyl]phenol
CID 103585182
5-chloro-2-fluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]aniline
CID 43438384
5-chloro-2-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43775985
4-[(2,4,5-trichloroanilino)methyl]phenol
CID 28536282
4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline
CID 43229744
5-bromo-N-[(4-chlorophenyl)methyl]-2,4-difluoroaniline
CID 102852740
4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenol
CID 113252113
[4-[(2,5-difluoroanilino)methyl]phenyl]methanol
CID 110006440
4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43425410
4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline
CID 60789911

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-fluoroanilino)methyl]phenol?
The IUPAC name of 4-[(5-chloro-2-fluoroanilino)methyl]phenol (CID 43438420) is 4-[(5-chloro-2-fluoroanilino)methyl]phenol.
What is the SMILES notation for 4-[(5-chloro-2-fluoroanilino)methyl]phenol?
The canonical SMILES for 4-[(5-chloro-2-fluoroanilino)methyl]phenol is Oc1ccc(CNc2cc(Cl)ccc2F)cc1.
What is the InChIKey of 4-[(5-chloro-2-fluoroanilino)methyl]phenol?
The InChIKey is QLFKHTFNPVPAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c14-10-3-6-12(15)13(7-10)16-8-9-1-4-11(17)5-2-9/h1-7,16-17H,8H2.
What are the key properties of 4-[(5-chloro-2-fluoroanilino)methyl]phenol?
4-[(5-chloro-2-fluoroanilino)methyl]phenol has a molecular weight of 251.69 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-fluoroanilino)methyl]phenol is sourced from PubChem (CID 43438420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).