N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide

C15H12F4N2O — CID 75469999

IUPACN-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2cc(F)c(F)cc2F)ccc1F
InChIInChI=1S/C15H12F4N2O/c1-8(22)21-15-5-10(2-3-11(15)16)20-7-9-4-13(18)14(19)6-12(9)17/h2-6,20H,7H2,1H3,(H,21,22)
InChIKeyGUGSDUFCLRQVOM-UHFFFAOYSA-N
MW312.27 g/mol
LogP3.81
Rot. Bonds4

About N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide

N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide (PubChem CID 75469999) has the molecular formula C15H12F4N2O and a molecular weight of 312.27 g/mol. Its IUPAC name is N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide
PubChem CID75469999
Molecular FormulaC15H12F4N2O
Molecular Weight312.27 g/mol
Exact Mass312.09
IUPAC NameN-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2cc(F)c(F)cc2F)ccc1F
InChIInChI=1S/C15H12F4N2O/c1-8(22)21-15-5-10(2-3-11(15)16)20-7-9-4-13(18)14(19)6-12(9)17/h2-6,20H,7H2,1H3,(H,21,22)
InChIKeyGUGSDUFCLRQVOM-UHFFFAOYSA-N
XLogP3.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928628
N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60927782
N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928497
N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 63667393
N-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide
CID 66417660
N-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide
CID 66385222
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010
N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 60928382
N-[5-[(3-chlorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928498
N-[5-(cyclopentylmethylamino)-2-fluorophenyl]acetamide
CID 62069998
N-[2-fluoro-5-[(1-methylpyrrol-2-yl)methylamino]phenyl]acetamide
CID 55039179
N-[5-[(4-bromothiophen-2-yl)methylamino]-2-fluorophenyl]acetamide
CID 54862670

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide (CID 75469999) is N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide is CC(=O)Nc1cc(NCc2cc(F)c(F)cc2F)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide?
The InChIKey is GUGSDUFCLRQVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2O/c1-8(22)21-15-5-10(2-3-11(15)16)20-7-9-4-13(18)14(19)6-12(9)17/h2-6,20H,7H2,1H3,(H,21,22).
What are the key properties of N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide?
N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide has a molecular weight of 312.27 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 75469999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).