N-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylphenyl)propanamide

C18H19BrClNO — CID 53267799

IUPACN-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(CCC(=O)Nc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C18H19BrClNO/c1-12(2)14-6-3-13(4-7-14)5-10-18(22)21-17-9-8-15(19)11-16(17)20/h3-4,6-9,11-12H,5,10H2,1-2H3,(H,21,22)
InChIKeyWYFYTCZGGLMXFO-UHFFFAOYSA-N
MW380.71 g/mol
LogP5.80
Rot. Bonds5

About N-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylphenyl)propanamide

N-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylphenyl)propanamide (PubChem CID 53267799) has the molecular formula C18H19BrClNO and a molecular weight of 380.71 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylphenyl)propanamide
PubChem CID53267799
Molecular FormulaC18H19BrClNO
Molecular Weight380.71 g/mol
Exact Mass379.03
IUPAC NameN-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(CCC(=O)Nc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C18H19BrClNO/c1-12(2)14-6-3-13(4-7-14)5-10-18(22)21-17-9-8-15(19)11-16(17)20/h3-4,6-9,11-12H,5,10H2,1-2H3,(H,21,22)
InChIKeyWYFYTCZGGLMXFO-UHFFFAOYSA-N
XLogP5.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.71
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2-chlorophenyl)-3-[4-(dimethylamino)phenyl]propanamide
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N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
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N-(4-bromo-2-chlorophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
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CID 7924446
N-(4-bromo-2-chlorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
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CID 1310243
N-(4-bromo-2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 26239683
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CID 62908416
N-(4-bromo-2-chlorophenyl)-2-hydroxyacetamide
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3-[[2-(4-bromo-2-chloroanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60834103

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylphenyl)propanamide (CID 53267799) is N-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(CCC(=O)Nc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylphenyl)propanamide?
The InChIKey is WYFYTCZGGLMXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClNO/c1-12(2)14-6-3-13(4-7-14)5-10-18(22)21-17-9-8-15(19)11-16(17)20/h3-4,6-9,11-12H,5,10H2,1-2H3,(H,21,22).
What are the key properties of N-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylphenyl)propanamide?
N-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylphenyl)propanamide has a molecular weight of 380.71 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 53267799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).