2-[(2-bromo-4-fluorophenyl)methyl-propylamino]-N-(2-methylphenyl)acetamide

C19H22BrFN2O — CID 30794360

IUPAC2-[(2-bromo-4-fluorophenyl)methyl-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)Cc1ccc(F)cc1Br
InChIInChI=1S/C19H22BrFN2O/c1-3-10-23(12-15-8-9-16(21)11-17(15)20)13-19(24)22-18-7-5-4-6-14(18)2/h4-9,11H,3,10,12-13H2,1-2H3,(H,22,24)
InChIKeyAYUAXMDPAPJRFV-UHFFFAOYSA-N
MW393.30 g/mol
LogP4.75
Rot. Bonds7

About 2-[(2-bromo-4-fluorophenyl)methyl-propylamino]-N-(2-methylphenyl)acetamide

2-[(2-bromo-4-fluorophenyl)methyl-propylamino]-N-(2-methylphenyl)acetamide (PubChem CID 30794360) has the molecular formula C19H22BrFN2O and a molecular weight of 393.30 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methyl-propylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methyl-propylamino]-N-(2-methylphenyl)acetamide
PubChem CID30794360
Molecular FormulaC19H22BrFN2O
Molecular Weight393.30 g/mol
Exact Mass392.09
IUPAC Name2-[(2-bromo-4-fluorophenyl)methyl-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)Cc1ccc(F)cc1Br
InChIInChI=1S/C19H22BrFN2O/c1-3-10-23(12-15-8-9-16(21)11-17(15)20)13-19(24)22-18-7-5-4-6-14(18)2/h4-9,11H,3,10,12-13H2,1-2H3,(H,22,24)
InChIKeyAYUAXMDPAPJRFV-UHFFFAOYSA-N
XLogP4.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide
CID 9038815
2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 9038323
N-[2-(4-fluorophenyl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9039149
2-[(2-chloroquinolin-3-yl)methyl-propylamino]-N-(2-methylphenyl)acetamide
CID 8810094
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-prop-2-ynylacetamide
CID 8810170
N-(5-fluoro-2-methylphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60693543
2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide
CID 40746083
N-(2-methylphenyl)-2-[(4-methylsulfanylphenyl)methyl-propylamino]acetamide
CID 8810074
2-(2-bromo-4-fluoroanilino)-N-(2-methylphenyl)acetamide
CID 28939357
N-(4-chlorophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038956
2-[(2-methylphenyl)methyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 24566253
2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 9038968

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl-propylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl-propylamino]-N-(2-methylphenyl)acetamide (CID 30794360) is 2-[(2-bromo-4-fluorophenyl)methyl-propylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methyl-propylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methyl-propylamino]-N-(2-methylphenyl)acetamide is CCCN(CC(=O)Nc1ccccc1C)Cc1ccc(F)cc1Br.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methyl-propylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is AYUAXMDPAPJRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrFN2O/c1-3-10-23(12-15-8-9-16(21)11-17(15)20)13-19(24)22-18-7-5-4-6-14(18)2/h4-9,11H,3,10,12-13H2,1-2H3,(H,22,24).
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methyl-propylamino]-N-(2-methylphenyl)acetamide?
2-[(2-bromo-4-fluorophenyl)methyl-propylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 393.30 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)methyl-propylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 30794360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).