N-(4-bromo-2-fluorophenyl)-3-(3,4-dimethylphenyl)propanamide

C17H17BrFNO — CID 100760984

IUPACN-(4-bromo-2-fluorophenyl)-3-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(Br)cc2F)cc1C
InChIInChI=1S/C17H17BrFNO/c1-11-3-4-13(9-12(11)2)5-8-17(21)20-16-7-6-14(18)10-15(16)19/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,20,21)
InChIKeyJLDKJLAORUMYDA-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.78
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-3-(3,4-dimethylphenyl)propanamide

N-(4-bromo-2-fluorophenyl)-3-(3,4-dimethylphenyl)propanamide (PubChem CID 100760984) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-(3,4-dimethylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-(3,4-dimethylphenyl)propanamide
PubChem CID100760984
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(Br)cc2F)cc1C
InChIInChI=1S/C17H17BrFNO/c1-11-3-4-13(9-12(11)2)5-8-17(21)20-16-7-6-14(18)10-15(16)19/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,20,21)
InChIKeyJLDKJLAORUMYDA-UHFFFAOYSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2-fluorophenyl)-3-(4-ethoxyphenyl)propanamide
CID 53267566
N-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide
CID 62832838
N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)methyl-methylamino]propanamide
CID 24588996
N-(2-amino-4-bromophenyl)-2-(3,4-dimethylphenyl)acetamide
CID 62552957
methyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 108808770
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-bromo-2-fluorophenyl)propanamide
CID 53267572
ethyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 33142715
2-(3,4-dimethylphenyl)-N-(2-fluoro-4-hydroxyphenyl)acetamide
CID 64792942
N-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide
CID 60648489
N-(4-bromo-2-fluorophenyl)-3-(4-ethylphenoxy)propanamide
CID 108807316
N-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide
CID 54917740
3-(3-bromophenyl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 42990299

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(3,4-dimethylphenyl)propanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(3,4-dimethylphenyl)propanamide (CID 100760984) is N-(4-bromo-2-fluorophenyl)-3-(3,4-dimethylphenyl)propanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-(3,4-dimethylphenyl)propanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-(3,4-dimethylphenyl)propanamide is Cc1ccc(CCC(=O)Nc2ccc(Br)cc2F)cc1C.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-(3,4-dimethylphenyl)propanamide?
The InChIKey is JLDKJLAORUMYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-11-3-4-13(9-12(11)2)5-8-17(21)20-16-7-6-14(18)10-15(16)19/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,20,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-(3,4-dimethylphenyl)propanamide?
N-(4-bromo-2-fluorophenyl)-3-(3,4-dimethylphenyl)propanamide has a molecular weight of 350.23 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-(3,4-dimethylphenyl)propanamide is sourced from PubChem (CID 100760984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).