N-(4-bromo-2-chlorophenyl)-3-[4-(dimethylamino)phenyl]propanamide

C17H18BrClN2O — CID 24555276

IUPACN-(4-bromo-2-chlorophenyl)-3-[4-(dimethylamino)phenyl]propanamide
SMILESCN(C)c1ccc(CCC(=O)Nc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C17H18BrClN2O/c1-21(2)14-7-3-12(4-8-14)5-10-17(22)20-16-9-6-13(18)11-15(16)19/h3-4,6-9,11H,5,10H2,1-2H3,(H,20,22)
InChIKeyVYKKHTKNCKJHDH-UHFFFAOYSA-N
MW381.70 g/mol
LogP4.74
Rot. Bonds5

About N-(4-bromo-2-chlorophenyl)-3-[4-(dimethylamino)phenyl]propanamide

N-(4-bromo-2-chlorophenyl)-3-[4-(dimethylamino)phenyl]propanamide (PubChem CID 24555276) has the molecular formula C17H18BrClN2O and a molecular weight of 381.70 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-3-[4-(dimethylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-3-[4-(dimethylamino)phenyl]propanamide
PubChem CID24555276
Molecular FormulaC17H18BrClN2O
Molecular Weight381.70 g/mol
Exact Mass380.03
IUPAC NameN-(4-bromo-2-chlorophenyl)-3-[4-(dimethylamino)phenyl]propanamide
SMILESCN(C)c1ccc(CCC(=O)Nc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C17H18BrClN2O/c1-21(2)14-7-3-12(4-8-14)5-10-17(22)20-16-9-6-13(18)11-15(16)19/h3-4,6-9,11H,5,10H2,1-2H3,(H,20,22)
InChIKeyVYKKHTKNCKJHDH-UHFFFAOYSA-N
XLogP4.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.70
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 53267799
N-(4-bromo-2-chlorophenyl)-2-(4-bromophenyl)acetamide
CID 7924446
N-(4-bromo-2-chlorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24505995
N-(4-bromo-2-chlorophenyl)-2-(4-chlorophenyl)acetamide
CID 1310243
N-(4-bromo-2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 26239683
N-(5-bromo-2-chlorophenyl)-3-phenylpropanamide
CID 62908416
N-(4-bromo-2-chlorophenyl)-2-hydroxyacetamide
CID 43558842
N-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide
CID 54925056
methyl 3-[[2-(4-bromo-2-chloroanilino)-2-oxoethyl]-methylamino]propanoate
CID 62012088
3-amino-N-(4-bromo-2-chlorophenyl)-3-methylbutanamide
CID 64684964
N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
CID 1234574
4-bromo-N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]benzamide
CID 26239604

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-3-[4-(dimethylamino)phenyl]propanamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-3-[4-(dimethylamino)phenyl]propanamide (CID 24555276) is N-(4-bromo-2-chlorophenyl)-3-[4-(dimethylamino)phenyl]propanamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-3-[4-(dimethylamino)phenyl]propanamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-3-[4-(dimethylamino)phenyl]propanamide is CN(C)c1ccc(CCC(=O)Nc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-3-[4-(dimethylamino)phenyl]propanamide?
The InChIKey is VYKKHTKNCKJHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2O/c1-21(2)14-7-3-12(4-8-14)5-10-17(22)20-16-9-6-13(18)11-15(16)19/h3-4,6-9,11H,5,10H2,1-2H3,(H,20,22).
What are the key properties of N-(4-bromo-2-chlorophenyl)-3-[4-(dimethylamino)phenyl]propanamide?
N-(4-bromo-2-chlorophenyl)-3-[4-(dimethylamino)phenyl]propanamide has a molecular weight of 381.70 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-3-[4-(dimethylamino)phenyl]propanamide is sourced from PubChem (CID 24555276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).