2-[(2,4-difluorophenyl)methylamino]-N-(3-fluorophenyl)acetamide

C15H13F3N2O — CID 49464511

IUPAC2-[(2,4-difluorophenyl)methylamino]-N-(3-fluorophenyl)acetamide
SMILESO=C(CNCc1ccc(F)cc1F)Nc1cccc(F)c1
InChIInChI=1S/C15H13F3N2O/c16-11-2-1-3-13(6-11)20-15(21)9-19-8-10-4-5-12(17)7-14(10)18/h1-7,19H,8-9H2,(H,20,21)
InChIKeyBKCFAFWLOBJJRY-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.83
Rot. Bonds5

About 2-[(2,4-difluorophenyl)methylamino]-N-(3-fluorophenyl)acetamide

2-[(2,4-difluorophenyl)methylamino]-N-(3-fluorophenyl)acetamide (PubChem CID 49464511) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methylamino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methylamino]-N-(3-fluorophenyl)acetamide
PubChem CID49464511
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name2-[(2,4-difluorophenyl)methylamino]-N-(3-fluorophenyl)acetamide
SMILESO=C(CNCc1ccc(F)cc1F)Nc1cccc(F)c1
InChIInChI=1S/C15H13F3N2O/c16-11-2-1-3-13(6-11)20-15(21)9-19-8-10-4-5-12(17)7-14(10)18/h1-7,19H,8-9H2,(H,20,21)
InChIKeyBKCFAFWLOBJJRY-UHFFFAOYSA-N
XLogP2.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetamide
CID 28582619
N-[3-[(2,4-difluorophenyl)methylamino]phenyl]propanamide
CID 28661893
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(3-fluorophenyl)acetamide
CID 115885607
N-ethyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]acetamide
CID 43401714
N-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745242
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
N-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide
CID 113268571
2-[(5-bromo-2-fluorophenyl)methylamino]-N-(3-bromophenyl)acetamide
CID 61300625
2-[(3,3-difluoro-2-hydroxypropyl)amino]-N-(3-fluorophenyl)acetamide
CID 114093423
2-(cyclobutylmethylamino)-N-(3-fluorophenyl)acetamide
CID 43298672
N-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide
CID 55108758
N-(3-fluorophenyl)-2-(octylamino)acetamide
CID 78914397

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methylamino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(2,4-difluorophenyl)methylamino]-N-(3-fluorophenyl)acetamide (CID 49464511) is 2-[(2,4-difluorophenyl)methylamino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methylamino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[(2,4-difluorophenyl)methylamino]-N-(3-fluorophenyl)acetamide is O=C(CNCc1ccc(F)cc1F)Nc1cccc(F)c1.
What is the InChIKey of 2-[(2,4-difluorophenyl)methylamino]-N-(3-fluorophenyl)acetamide?
The InChIKey is BKCFAFWLOBJJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-11-2-1-3-13(6-11)20-15(21)9-19-8-10-4-5-12(17)7-14(10)18/h1-7,19H,8-9H2,(H,20,21).
What are the key properties of 2-[(2,4-difluorophenyl)methylamino]-N-(3-fluorophenyl)acetamide?
2-[(2,4-difluorophenyl)methylamino]-N-(3-fluorophenyl)acetamide has a molecular weight of 294.28 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methylamino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 49464511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).