4-(4-bromophenyl)-N,N-dimethylbutanamide

C12H16BrNO — CID 158418152

IUPAC4-(4-bromophenyl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO/c1-14(2)12(15)5-3-4-10-6-8-11(13)9-7-10/h6-9H,3-5H2,1-2H3
InChIKeyRBTFRTUFRYVYAF-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.86
Rot. Bonds4

About 4-(4-bromophenyl)-N,N-dimethylbutanamide

4-(4-bromophenyl)-N,N-dimethylbutanamide (PubChem CID 158418152) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N,N-dimethylbutanamide
PubChem CID158418152
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name4-(4-bromophenyl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO/c1-14(2)12(15)5-3-4-10-6-8-11(13)9-7-10/h6-9H,3-5H2,1-2H3
InChIKeyRBTFRTUFRYVYAF-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(6-aminohexyl)phenyl]-N,N-dimethylbutanamide
CID 54058207
4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(4-bromophenyl)-N-methylbutanamide
CID 115272725
4-(4-bromophenyl)-N-hydroxybutanamide
CID 139305557
4-[4-(4-bromophenyl)phenyl]butanoic acid
CID 21437969
7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide
CID 119771019
3-[3-(4-bromophenyl)propanoyl-methylamino]propanoic acid
CID 99849607
ethyl 13-(4-bromophenyl)tridecanoate
CID 134946562
4-(4-bromophenyl)butan-2-one;ethane
CID 142922881
1,3-bis(4-bromophenyl)propan-2-one;1-bromo-4-[3-(4-bromophenyl)propyl]benzene
CID 157299042
N-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide
CID 56538297
N-[(4-bromophenyl)methyl]-N-methyldecanamide
CID 65428442

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N,N-dimethylbutanamide?
The IUPAC name of 4-(4-bromophenyl)-N,N-dimethylbutanamide (CID 158418152) is 4-(4-bromophenyl)-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(4-bromophenyl)-N,N-dimethylbutanamide?
The canonical SMILES for 4-(4-bromophenyl)-N,N-dimethylbutanamide is CN(C)C(=O)CCCc1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N,N-dimethylbutanamide?
The InChIKey is RBTFRTUFRYVYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-14(2)12(15)5-3-4-10-6-8-11(13)9-7-10/h6-9H,3-5H2,1-2H3.
What are the key properties of 4-(4-bromophenyl)-N,N-dimethylbutanamide?
4-(4-bromophenyl)-N,N-dimethylbutanamide has a molecular weight of 270.17 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N,N-dimethylbutanamide is sourced from PubChem (CID 158418152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).