N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide

C15H15FN2O3 — CID 60928497

IUPACN-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2ccc(O)cc2O)ccc1F
InChIInChI=1S/C15H15FN2O3/c1-9(19)18-14-6-11(3-5-13(14)16)17-8-10-2-4-12(20)7-15(10)21/h2-7,17,20-21H,8H2,1H3,(H,18,19)
InChIKeyBDDVOCXRBAYIKP-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.81
Rot. Bonds4

About N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide

N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide (PubChem CID 60928497) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide
PubChem CID60928497
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC NameN-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2ccc(O)cc2O)ccc1F
InChIInChI=1S/C15H15FN2O3/c1-9(19)18-14-6-11(3-5-13(14)16)17-8-10-2-4-12(20)7-15(10)21/h2-7,17,20-21H,8H2,1H3,(H,18,19)
InChIKeyBDDVOCXRBAYIKP-UHFFFAOYSA-N
XLogP2.81
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928628
N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide
CID 75469999
N-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide
CID 66417660
4-[(4-fluoro-3-methylanilino)methyl]benzene-1,3-diol
CID 55119119
N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60927782
N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 63667393
N-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide
CID 66385222
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010
4-[(4-chloro-3-fluoroanilino)methyl]benzene-1,3-diol
CID 43721464
N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 60928382
N-[5-[(3-chlorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928498
N-[5-[(4-bromothiophen-2-yl)methylamino]-2-fluorophenyl]acetamide
CID 54862670

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide (CID 60928497) is N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide is CC(=O)Nc1cc(NCc2ccc(O)cc2O)ccc1F.
What is the InChIKey of N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide?
The InChIKey is BDDVOCXRBAYIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-9(19)18-14-6-11(3-5-13(14)16)17-8-10-2-4-12(20)7-15(10)21/h2-7,17,20-21H,8H2,1H3,(H,18,19).
What are the key properties of N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide?
N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide has a molecular weight of 290.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide is sourced from PubChem (CID 60928497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).