N-(2-bromo-4-butylphenyl)acetamide

C12H16BrNO — CID 23274178

IUPACN-(2-bromo-4-butylphenyl)acetamide
SMILESCCCCc1ccc(NC(C)=O)c(Br)c1
InChIInChI=1S/C12H16BrNO/c1-3-4-5-10-6-7-12(11(13)8-10)14-9(2)15/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyCDHHTOKVWKHCFS-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.75
Rot. Bonds4

About N-(2-bromo-4-butylphenyl)acetamide

N-(2-bromo-4-butylphenyl)acetamide (PubChem CID 23274178) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is N-(2-bromo-4-butylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-butylphenyl)acetamide
PubChem CID23274178
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC NameN-(2-bromo-4-butylphenyl)acetamide
SMILESCCCCc1ccc(NC(C)=O)c(Br)c1
InChIInChI=1S/C12H16BrNO/c1-3-4-5-10-6-7-12(11(13)8-10)14-9(2)15/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyCDHHTOKVWKHCFS-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-4-butylphenyl)-3-(4-tert-butylphenyl)propanamide
CID 53267643
N-(2-bromo-4-butylphenyl)-2-(4-ethoxyphenoxy)propanamide
CID 53268112
N-(2-bromo-4-butylphenyl)-2-ethoxybenzamide
CID 53267898
(E)-N-(2-bromo-4-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 53267822
(E)-N-(2-bromo-4-butylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 53267823
N-(2-bromo-4-butylphenyl)-4-(2,4-dimethylphenoxy)butanamide
CID 53267656
4-(2-bromo-4-tert-butylphenoxy)-N-(2-bromo-4-butylphenyl)butanamide
CID 53267642
(E)-N-(2-bromo-4-butylphenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide
CID 53267730
3-(2-bromo-4-butylanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168556250
2-[(2-bromo-4-butylphenyl)hydrazinylidene]propanedinitrile
CID 169338101
N-(2-bromo-4-butylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 53267686
2-bromo-4-pentylbenzoic acid
CID 15327817

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-butylphenyl)acetamide?
The IUPAC name of N-(2-bromo-4-butylphenyl)acetamide (CID 23274178) is N-(2-bromo-4-butylphenyl)acetamide.
What is the SMILES notation for N-(2-bromo-4-butylphenyl)acetamide?
The canonical SMILES for N-(2-bromo-4-butylphenyl)acetamide is CCCCc1ccc(NC(C)=O)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-butylphenyl)acetamide?
The InChIKey is CDHHTOKVWKHCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-3-4-5-10-6-7-12(11(13)8-10)14-9(2)15/h6-8H,3-5H2,1-2H3,(H,14,15).
What are the key properties of N-(2-bromo-4-butylphenyl)acetamide?
N-(2-bromo-4-butylphenyl)acetamide has a molecular weight of 270.17 g/mol, XLogP of 3.75, 4 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)acetamide is sourced from PubChem (CID 23274178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).