N-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide

C15H14F2N2O — CID 66385222

IUPACN-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNc1ccc(F)c(F)c1
InChIInChI=1S/C15H14F2N2O/c1-10(20)19-15-5-3-2-4-11(15)9-18-12-6-7-13(16)14(17)8-12/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyFDBITWDPKJAHRT-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.54
Rot. Bonds4

About N-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide

N-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide (PubChem CID 66385222) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is N-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide
PubChem CID66385222
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNc1ccc(F)c(F)c1
InChIInChI=1S/C15H14F2N2O/c1-10(20)19-15-5-3-2-4-11(15)9-18-12-6-7-13(16)14(17)8-12/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyFDBITWDPKJAHRT-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-aminophenyl)methylamino]-2-fluorophenyl]acetamide
CID 66417660
N-[2-[(4-chloro-2-fluoroanilino)methyl]phenyl]acetamide
CID 66387469
N-[2-[(3-hydroxyanilino)methyl]phenyl]acetamide
CID 66385038
N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide
CID 75469999
N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 63667393
N-[2-[(3-ethylanilino)methyl]phenyl]acetamide
CID 66386234
N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928497
N-[2-[(2,5-dichloroanilino)methyl]phenyl]acetamide
CID 66387224
N-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide
CID 107679126
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928628
N-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetamide
CID 104938218

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide?
The IUPAC name of N-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide (CID 66385222) is N-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNc1ccc(F)c(F)c1.
What is the InChIKey of N-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide?
The InChIKey is FDBITWDPKJAHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-10(20)19-15-5-3-2-4-11(15)9-18-12-6-7-13(16)14(17)8-12/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of N-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide?
N-[2-[(3,4-difluoroanilino)methyl]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-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide is sourced from PubChem (CID 66385222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).