N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide

C15H14F2N2O — CID 43425139

IUPACN-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2cccc(F)c2F)c1
InChIInChI=1S/C15H14F2N2O/c1-10(20)19-13-6-3-5-12(8-13)18-9-11-4-2-7-14(16)15(11)17/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyPTZOAZZNVVMJDF-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.54
Rot. Bonds4

About N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide

N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide (PubChem CID 43425139) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide
PubChem CID43425139
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2cccc(F)c2F)c1
InChIInChI=1S/C15H14F2N2O/c1-10(20)19-13-6-3-5-12(8-13)18-9-11-4-2-7-14(16)15(11)17/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyPTZOAZZNVVMJDF-UHFFFAOYSA-N
XLogP3.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 63667393
3-[(2,3-difluorophenyl)methylamino]phenol
CID 63667379
N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]phenyl]acetamide
CID 61390209
methyl 5-[(2,3-difluorophenyl)methylamino]-2-fluorobenzoate
CID 63667213
N-[3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 62473115
4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol
CID 64795401
3-(3-acetamidoanilino)-N-(2,6-difluorophenyl)propanamide
CID 109041187
N-(3-acetamidophenyl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170520
2-chloro-4-[(2,3-difluorophenyl)methylamino]phenol
CID 107678317
N-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 63667721
3-acetamido-N-[(2-fluorophenyl)methyl]benzamide
CID 8012881
N-[4-[(2,3-difluorophenyl)methylsulfanyl]phenyl]acetamide
CID 26301339

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide (CID 43425139) is N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide is CC(=O)Nc1cccc(NCc2cccc(F)c2F)c1.
What is the InChIKey of N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide?
The InChIKey is PTZOAZZNVVMJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-10(20)19-13-6-3-5-12(8-13)18-9-11-4-2-7-14(16)15(11)17/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide?
N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide has a molecular weight of 276.29 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 43425139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).