N-[3-[1-(2,5-difluorophenyl)ethylamino]phenyl]-2-hydroxyacetamide

C16H16F2N2O2 — CID 111121722

IUPACN-[3-[1-(2,5-difluorophenyl)ethylamino]phenyl]-2-hydroxyacetamide
SMILESCC(Nc1cccc(NC(=O)CO)c1)c1cc(F)ccc1F
InChIInChI=1S/C16H16F2N2O2/c1-10(14-7-11(17)5-6-15(14)18)19-12-3-2-4-13(8-12)20-16(22)9-21/h2-8,10,19,21H,9H2,1H3,(H,20,22)
InChIKeyBPSMOBQDILOXNV-UHFFFAOYSA-N
MW306.31 g/mol
LogP3.07
Rot. Bonds5

About N-[3-[1-(2,5-difluorophenyl)ethylamino]phenyl]-2-hydroxyacetamide

N-[3-[1-(2,5-difluorophenyl)ethylamino]phenyl]-2-hydroxyacetamide (PubChem CID 111121722) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is N-[3-[1-(2,5-difluorophenyl)ethylamino]phenyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-[1-(2,5-difluorophenyl)ethylamino]phenyl]-2-hydroxyacetamide
PubChem CID111121722
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC NameN-[3-[1-(2,5-difluorophenyl)ethylamino]phenyl]-2-hydroxyacetamide
SMILESCC(Nc1cccc(NC(=O)CO)c1)c1cc(F)ccc1F
InChIInChI=1S/C16H16F2N2O2/c1-10(14-7-11(17)5-6-15(14)18)19-12-3-2-4-13(8-12)20-16(22)9-21/h2-8,10,19,21H,9H2,1H3,(H,20,22)
InChIKeyBPSMOBQDILOXNV-UHFFFAOYSA-N
XLogP3.07
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(5-fluoro-2-methylphenyl)-2-[3-[(2-hydroxyacetyl)amino]anilino]propanamide
CID 95173879
N-[3-[1-(4-fluorophenyl)propylamino]phenyl]-2-hydroxyacetamide
CID 56794102
2-hydroxy-N-[3-[[(1R)-1-(2-nitrophenyl)ethyl]amino]phenyl]acetamide
CID 97218877
N-(3-chlorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369862
4-[1-(2,5-difluorophenyl)ethylamino]phenol
CID 43742782
2-chloro-5-[1-(2,5-difluorophenyl)ethylamino]benzoic acid
CID 43736287
5-[1-(2,5-difluorophenyl)ethylamino]-2-methylbenzamide
CID 56788859
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide
CID 9369815
tert-butyl N-[3-[1-(2-bromo-4-fluorophenyl)ethylamino]phenyl]carbamate
CID 114068440
5-[1-(2,5-difluorophenyl)ethylamino]-1-ethylpyridin-2-one
CID 60942405
N-[1-(2,5-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192587
2-[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 9221151

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2,5-difluorophenyl)ethylamino]phenyl]-2-hydroxyacetamide?
The IUPAC name of N-[3-[1-(2,5-difluorophenyl)ethylamino]phenyl]-2-hydroxyacetamide (CID 111121722) is N-[3-[1-(2,5-difluorophenyl)ethylamino]phenyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[3-[1-(2,5-difluorophenyl)ethylamino]phenyl]-2-hydroxyacetamide?
The canonical SMILES for N-[3-[1-(2,5-difluorophenyl)ethylamino]phenyl]-2-hydroxyacetamide is CC(Nc1cccc(NC(=O)CO)c1)c1cc(F)ccc1F.
What is the InChIKey of N-[3-[1-(2,5-difluorophenyl)ethylamino]phenyl]-2-hydroxyacetamide?
The InChIKey is BPSMOBQDILOXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2/c1-10(14-7-11(17)5-6-15(14)18)19-12-3-2-4-13(8-12)20-16(22)9-21/h2-8,10,19,21H,9H2,1H3,(H,20,22).
What are the key properties of N-[3-[1-(2,5-difluorophenyl)ethylamino]phenyl]-2-hydroxyacetamide?
N-[3-[1-(2,5-difluorophenyl)ethylamino]phenyl]-2-hydroxyacetamide has a molecular weight of 306.31 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2,5-difluorophenyl)ethylamino]phenyl]-2-hydroxyacetamide is sourced from PubChem (CID 111121722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).