N-[2-[bis(2-methylpropyl)amino]-5-bromo-3-fluorophenyl]-2-(4-methylphenyl)acetamide

C23H30BrFN2O — CID 157118961

IUPACN-[2-[bis(2-methylpropyl)amino]-5-bromo-3-fluorophenyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cc(Br)cc(F)c2N(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C23H30BrFN2O/c1-15(2)13-27(14-16(3)4)23-20(25)11-19(24)12-21(23)26-22(28)10-18-8-6-17(5)7-9-18/h6-9,11-12,15-16H,10,13-14H2,1-5H3,(H,26,28)
InChIKeyIHACIHRIZDLTGL-UHFFFAOYSA-N
MW449.41 g/mol
LogP6.20
Rot. Bonds8

About N-[2-[bis(2-methylpropyl)amino]-5-bromo-3-fluorophenyl]-2-(4-methylphenyl)acetamide

N-[2-[bis(2-methylpropyl)amino]-5-bromo-3-fluorophenyl]-2-(4-methylphenyl)acetamide (PubChem CID 157118961) has the molecular formula C23H30BrFN2O and a molecular weight of 449.41 g/mol. Its IUPAC name is N-[2-[bis(2-methylpropyl)amino]-5-bromo-3-fluorophenyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[bis(2-methylpropyl)amino]-5-bromo-3-fluorophenyl]-2-(4-methylphenyl)acetamide
PubChem CID157118961
Molecular FormulaC23H30BrFN2O
Molecular Weight449.41 g/mol
Exact Mass448.15
IUPAC NameN-[2-[bis(2-methylpropyl)amino]-5-bromo-3-fluorophenyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cc(Br)cc(F)c2N(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C23H30BrFN2O/c1-15(2)13-27(14-16(3)4)23-20(25)11-19(24)12-21(23)26-22(28)10-18-8-6-17(5)7-9-18/h6-9,11-12,15-16H,10,13-14H2,1-5H3,(H,26,28)
InChIKeyIHACIHRIZDLTGL-UHFFFAOYSA-N
XLogP6.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.41
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 103753599
N-[2-[bis(2-methylpropyl)amino]-5-[2-(hydroxymethyl)cyclopropyl]phenyl]-2-(4-methylphenyl)acetamide
CID 134447892
2-(4-bromophenyl)-N-(2,4-dimethylphenyl)acetamide
CID 2600129
2-[1-[4-[bis(2-methylpropyl)amino]-3-[[2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropyl]acetic acid
CID 158975465
N-(5-bromo-2-carbamothioylphenyl)-2-(4-methylphenyl)acetamide
CID 107798636
[(2S)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
CID 9063100
N-(2-fluoro-5-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838557
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
4-fluoro-2-[3-[[2-(4-methylphenyl)acetyl]amino]-4-[2-methylpropyl(prop-2-ynyl)amino]phenyl]benzoic acid
CID 161057927
N-[3-[2-[bis(2-methylpropyl)amino]phenyl]phenyl]-2-(4-methylphenyl)acetamide
CID 174963232
N-[4-(3-methylbutylamino)phenyl]-2-(4-methylphenyl)acetamide
CID 112985122
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(2-methylpropyl)amino]-5-bromo-3-fluorophenyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[2-[bis(2-methylpropyl)amino]-5-bromo-3-fluorophenyl]-2-(4-methylphenyl)acetamide (CID 157118961) is N-[2-[bis(2-methylpropyl)amino]-5-bromo-3-fluorophenyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[bis(2-methylpropyl)amino]-5-bromo-3-fluorophenyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[2-[bis(2-methylpropyl)amino]-5-bromo-3-fluorophenyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2cc(Br)cc(F)c2N(CC(C)C)CC(C)C)cc1.
What is the InChIKey of N-[2-[bis(2-methylpropyl)amino]-5-bromo-3-fluorophenyl]-2-(4-methylphenyl)acetamide?
The InChIKey is IHACIHRIZDLTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30BrFN2O/c1-15(2)13-27(14-16(3)4)23-20(25)11-19(24)12-21(23)26-22(28)10-18-8-6-17(5)7-9-18/h6-9,11-12,15-16H,10,13-14H2,1-5H3,(H,26,28).
What are the key properties of N-[2-[bis(2-methylpropyl)amino]-5-bromo-3-fluorophenyl]-2-(4-methylphenyl)acetamide?
N-[2-[bis(2-methylpropyl)amino]-5-bromo-3-fluorophenyl]-2-(4-methylphenyl)acetamide has a molecular weight of 449.41 g/mol, XLogP of 6.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(2-methylpropyl)amino]-5-bromo-3-fluorophenyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 157118961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).