9,10-difluoro-N-[4-[(4-hydroxyphenyl)methylamino]phenyl]decanamide

C23H30F2N2O2 — CID 154663636

IUPAC9,10-difluoro-N-[4-[(4-hydroxyphenyl)methylamino]phenyl]decanamide
SMILESO=C(CCCCCCCC(F)CF)Nc1ccc(NCc2ccc(O)cc2)cc1
InChIInChI=1S/C23H30F2N2O2/c24-16-19(25)6-4-2-1-3-5-7-23(29)27-21-12-10-20(11-13-21)26-17-18-8-14-22(28)15-9-18/h8-15,19,26,28H,1-7,16-17H2,(H,27,29)
InChIKeyUQNSTYSANSCFRZ-UHFFFAOYSA-N
MW404.50 g/mol
LogP5.98
Rot. Bonds13

About 9,10-difluoro-N-[4-[(4-hydroxyphenyl)methylamino]phenyl]decanamide

9,10-difluoro-N-[4-[(4-hydroxyphenyl)methylamino]phenyl]decanamide (PubChem CID 154663636) has the molecular formula C23H30F2N2O2 and a molecular weight of 404.50 g/mol. Its IUPAC name is 9,10-difluoro-N-[4-[(4-hydroxyphenyl)methylamino]phenyl]decanamide.

Molecular Properties

Compound Name9,10-difluoro-N-[4-[(4-hydroxyphenyl)methylamino]phenyl]decanamide
PubChem CID154663636
Molecular FormulaC23H30F2N2O2
Molecular Weight404.50 g/mol
Exact Mass404.23
IUPAC Name9,10-difluoro-N-[4-[(4-hydroxyphenyl)methylamino]phenyl]decanamide
SMILESO=C(CCCCCCCC(F)CF)Nc1ccc(NCc2ccc(O)cc2)cc1
InChIInChI=1S/C23H30F2N2O2/c24-16-19(25)6-4-2-1-3-5-7-23(29)27-21-12-10-20(11-13-21)26-17-18-8-14-22(28)15-9-18/h8-15,19,26,28H,1-7,16-17H2,(H,27,29)
InChIKeyUQNSTYSANSCFRZ-UHFFFAOYSA-N
XLogP5.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.50
LogP ≤ 55.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-9,10-difluorodecanamide
CID 154663635
8-(4-hydroxyanilino)-8-oxooctanoic acid
CID 59835382
N-[4-[(4-hydroxyphenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43717389
6-(4-bromoanilino)-2-[(4-hydroxyphenyl)methyl]-6-oxohexanoic acid
CID 163510548
N-[2-amino-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-7,8-difluorooctanamide
CID 154663641
N-[4-[(4-nitrophenyl)methylamino]phenyl]decanamide
CID 154663728
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322
molecular hydrogen;N-[4-(pyridin-4-ylmethylamino)phenyl]octanamide
CID 154663589
N-[4-(4-hydroxyphenyl)phenyl]octanamide
CID 139889893
N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide
CID 59961365
N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide
CID 59961397
11-(3-hydroxyphenoxy)-N-(4-hydroxyphenyl)undecanamide
CID 11661005

Frequently Asked Questions

What is the IUPAC name of 9,10-difluoro-N-[4-[(4-hydroxyphenyl)methylamino]phenyl]decanamide?
The IUPAC name of 9,10-difluoro-N-[4-[(4-hydroxyphenyl)methylamino]phenyl]decanamide (CID 154663636) is 9,10-difluoro-N-[4-[(4-hydroxyphenyl)methylamino]phenyl]decanamide.
What is the SMILES notation for 9,10-difluoro-N-[4-[(4-hydroxyphenyl)methylamino]phenyl]decanamide?
The canonical SMILES for 9,10-difluoro-N-[4-[(4-hydroxyphenyl)methylamino]phenyl]decanamide is O=C(CCCCCCCC(F)CF)Nc1ccc(NCc2ccc(O)cc2)cc1.
What is the InChIKey of 9,10-difluoro-N-[4-[(4-hydroxyphenyl)methylamino]phenyl]decanamide?
The InChIKey is UQNSTYSANSCFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N2O2/c24-16-19(25)6-4-2-1-3-5-7-23(29)27-21-12-10-20(11-13-21)26-17-18-8-14-22(28)15-9-18/h8-15,19,26,28H,1-7,16-17H2,(H,27,29).
What are the key properties of 9,10-difluoro-N-[4-[(4-hydroxyphenyl)methylamino]phenyl]decanamide?
9,10-difluoro-N-[4-[(4-hydroxyphenyl)methylamino]phenyl]decanamide has a molecular weight of 404.50 g/mol, XLogP of 5.98, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-difluoro-N-[4-[(4-hydroxyphenyl)methylamino]phenyl]decanamide is sourced from PubChem (CID 154663636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).