N-(2-bromo-4-butylphenyl)-3-(4-tert-butylphenyl)propanamide

C23H30BrNO — CID 53267643

IUPACN-(2-bromo-4-butylphenyl)-3-(4-tert-butylphenyl)propanamide
SMILESCCCCc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c(Br)c1
InChIInChI=1S/C23H30BrNO/c1-5-6-7-18-10-14-21(20(24)16-18)25-22(26)15-11-17-8-12-19(13-9-17)23(2,3)4/h8-10,12-14,16H,5-7,11,15H2,1-4H3,(H,25,26)
InChIKeyNWPYCXMDXQXBJI-UHFFFAOYSA-N
MW416.40 g/mol
LogP6.66
Rot. Bonds7

About N-(2-bromo-4-butylphenyl)-3-(4-tert-butylphenyl)propanamide

N-(2-bromo-4-butylphenyl)-3-(4-tert-butylphenyl)propanamide (PubChem CID 53267643) has the molecular formula C23H30BrNO and a molecular weight of 416.40 g/mol. Its IUPAC name is N-(2-bromo-4-butylphenyl)-3-(4-tert-butylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-butylphenyl)-3-(4-tert-butylphenyl)propanamide
PubChem CID53267643
Molecular FormulaC23H30BrNO
Molecular Weight416.40 g/mol
Exact Mass415.15
IUPAC NameN-(2-bromo-4-butylphenyl)-3-(4-tert-butylphenyl)propanamide
SMILESCCCCc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c(Br)c1
InChIInChI=1S/C23H30BrNO/c1-5-6-7-18-10-14-21(20(24)16-18)25-22(26)15-11-17-8-12-19(13-9-17)23(2,3)4/h8-10,12-14,16H,5-7,11,15H2,1-4H3,(H,25,26)
InChIKeyNWPYCXMDXQXBJI-UHFFFAOYSA-N
XLogP6.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.40
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-bromo-4-tert-butylphenoxy)-N-(2-bromo-4-butylphenyl)butanamide
CID 53267642
N-(2-bromo-4-butylphenyl)acetamide
CID 23274178
N-(2-bromo-4-ethylphenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 53268011
N-(2-bromo-4-butylphenyl)-4-(2,4-dimethylphenoxy)butanamide
CID 53267656
N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)acetamide
CID 53268422
N-(2-bromo-4-tert-butylphenyl)-3-chloropropanamide
CID 53268048
4-(2-bromo-4-tert-butylphenoxy)-N-(4-butylphenyl)butanamide
CID 19201575
N-(3-bromophenyl)-3-(4-tert-butylphenyl)propanamide
CID 19221197
N-(2-bromo-4-butylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 53267686
N-(2,4-dibromophenyl)hexanamide
CID 4251482
N-(2-bromo-4-methylphenyl)-3-phenylpropanamide
CID 730069
N-(2-bromo-4-ethylphenyl)-4-chlorobutanamide
CID 53268191

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-butylphenyl)-3-(4-tert-butylphenyl)propanamide?
The IUPAC name of N-(2-bromo-4-butylphenyl)-3-(4-tert-butylphenyl)propanamide (CID 53267643) is N-(2-bromo-4-butylphenyl)-3-(4-tert-butylphenyl)propanamide.
What is the SMILES notation for N-(2-bromo-4-butylphenyl)-3-(4-tert-butylphenyl)propanamide?
The canonical SMILES for N-(2-bromo-4-butylphenyl)-3-(4-tert-butylphenyl)propanamide is CCCCc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-butylphenyl)-3-(4-tert-butylphenyl)propanamide?
The InChIKey is NWPYCXMDXQXBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30BrNO/c1-5-6-7-18-10-14-21(20(24)16-18)25-22(26)15-11-17-8-12-19(13-9-17)23(2,3)4/h8-10,12-14,16H,5-7,11,15H2,1-4H3,(H,25,26).
What are the key properties of N-(2-bromo-4-butylphenyl)-3-(4-tert-butylphenyl)propanamide?
N-(2-bromo-4-butylphenyl)-3-(4-tert-butylphenyl)propanamide has a molecular weight of 416.40 g/mol, XLogP of 6.66, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-butylphenyl)-3-(4-tert-butylphenyl)propanamide is sourced from PubChem (CID 53267643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).