3-(2-bromophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]propanamide

C17H17BrF2N2O — CID 55907825

IUPAC3-(2-bromophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]propanamide
SMILESCN(C)c1c(F)cc(NC(=O)CCc2ccccc2Br)cc1F
InChIInChI=1S/C17H17BrF2N2O/c1-22(2)17-14(19)9-12(10-15(17)20)21-16(23)8-7-11-5-3-4-6-13(11)18/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)
InChIKeyHQCCZINMKUKIIR-UHFFFAOYSA-N
MW383.24 g/mol
LogP4.36
Rot. Bonds5

About 3-(2-bromophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]propanamide

3-(2-bromophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]propanamide (PubChem CID 55907825) has the molecular formula C17H17BrF2N2O and a molecular weight of 383.24 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]propanamide
PubChem CID55907825
Molecular FormulaC17H17BrF2N2O
Molecular Weight383.24 g/mol
Exact Mass382.05
IUPAC Name3-(2-bromophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]propanamide
SMILESCN(C)c1c(F)cc(NC(=O)CCc2ccccc2Br)cc1F
InChIInChI=1S/C17H17BrF2N2O/c1-22(2)17-14(19)9-12(10-15(17)20)21-16(23)8-7-11-5-3-4-6-13(11)18/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)
InChIKeyHQCCZINMKUKIIR-UHFFFAOYSA-N
XLogP4.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 47267332
3-(2-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 108933355
N-[2-[4-(dimethylamino)-3,5-difluoroanilino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55863046
3-(2-bromophenyl)-N-hydroxypropanamide
CID 130732789
N-(3-fluoro-4-hydroxyphenyl)-3-(2-methylphenyl)propanamide
CID 64781649
3-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 51085814
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 28713886
N-(5-amino-2-pyridinyl)-3-(2-bromophenyl)propanamide
CID 115273754
3-(2-bromophenyl)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide
CID 71806539
N-[4-(dimethylamino)-3,5-difluorophenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55862290
3-(2-chlorophenyl)-N-[6-(dimethylamino)-3-pyridinyl]propanamide
CID 30296888
3-(2-aminophenyl)-N-(2-bromo-6-fluorophenyl)propanamide
CID 107599852

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]propanamide (CID 55907825) is 3-(2-bromophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]propanamide is CN(C)c1c(F)cc(NC(=O)CCc2ccccc2Br)cc1F.
What is the InChIKey of 3-(2-bromophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]propanamide?
The InChIKey is HQCCZINMKUKIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrF2N2O/c1-22(2)17-14(19)9-12(10-15(17)20)21-16(23)8-7-11-5-3-4-6-13(11)18/h3-6,9-10H,7-8H2,1-2H3,(H,21,23).
What are the key properties of 3-(2-bromophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]propanamide?
3-(2-bromophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]propanamide has a molecular weight of 383.24 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]propanamide is sourced from PubChem (CID 55907825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).