2-(benzylamino)-2-(4-bromo-3-fluorophenyl)acetamide

C15H14BrFN2O — CID 81436090

IUPAC2-(benzylamino)-2-(4-bromo-3-fluorophenyl)acetamide
SMILESNC(=O)C(NCc1ccccc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H14BrFN2O/c16-12-7-6-11(8-13(12)17)14(15(18)20)19-9-10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H2,18,20)
InChIKeyFUPQRVXVPAUREG-UHFFFAOYSA-N
MW337.19 g/mol
LogP2.90
Rot. Bonds5

About 2-(benzylamino)-2-(4-bromo-3-fluorophenyl)acetamide

2-(benzylamino)-2-(4-bromo-3-fluorophenyl)acetamide (PubChem CID 81436090) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 2-(benzylamino)-2-(4-bromo-3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(benzylamino)-2-(4-bromo-3-fluorophenyl)acetamide
PubChem CID81436090
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name2-(benzylamino)-2-(4-bromo-3-fluorophenyl)acetamide
SMILESNC(=O)C(NCc1ccccc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H14BrFN2O/c16-12-7-6-11(8-13(12)17)14(15(18)20)19-9-10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H2,18,20)
InChIKeyFUPQRVXVPAUREG-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-2-(3-bromo-4-methylphenyl)acetamide
CID 105401783
2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)acetamide
CID 81436324
2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide
CID 115524447
2-(benzylamino)-2-(3,4-difluorophenyl)acetic acid
CID 60992267
2-(benzylamino)-2-(2-bromophenyl)acetamide
CID 54889282
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetamide
CID 10824853
2-(benzylamino)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 113268835
2-(benzylamino)-2-(3-methoxyphenyl)acetamide
CID 10849658
2-(benzylamino)-2-(4-bromo-5-chlorothiophen-2-yl)acetamide
CID 102840225
2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)acetamide
CID 81437584
(2R)-2-[(2-fluorophenyl)methylamino]-2-phenylacetamide
CID 33473493
2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 81431305

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(4-bromo-3-fluorophenyl)acetamide?
The IUPAC name of 2-(benzylamino)-2-(4-bromo-3-fluorophenyl)acetamide (CID 81436090) is 2-(benzylamino)-2-(4-bromo-3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(benzylamino)-2-(4-bromo-3-fluorophenyl)acetamide?
The canonical SMILES for 2-(benzylamino)-2-(4-bromo-3-fluorophenyl)acetamide is NC(=O)C(NCc1ccccc1)c1ccc(Br)c(F)c1.
What is the InChIKey of 2-(benzylamino)-2-(4-bromo-3-fluorophenyl)acetamide?
The InChIKey is FUPQRVXVPAUREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c16-12-7-6-11(8-13(12)17)14(15(18)20)19-9-10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H2,18,20).
What are the key properties of 2-(benzylamino)-2-(4-bromo-3-fluorophenyl)acetamide?
2-(benzylamino)-2-(4-bromo-3-fluorophenyl)acetamide has a molecular weight of 337.19 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(4-bromo-3-fluorophenyl)acetamide is sourced from PubChem (CID 81436090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).