2-(4-bromophenyl)-N,N-dimethylacetamide

C10H12BrNO — CID 4631595

IUPAC2-(4-bromophenyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO/c1-12(2)10(13)7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3
InChIKeyCNGVHZAORFMGBW-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.08
Rot. Bonds2

About 2-(4-bromophenyl)-N,N-dimethylacetamide

2-(4-bromophenyl)-N,N-dimethylacetamide (PubChem CID 4631595) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N,N-dimethylacetamide
PubChem CID4631595
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name2-(4-bromophenyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO/c1-12(2)10(13)7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3
InChIKeyCNGVHZAORFMGBW-UHFFFAOYSA-N
XLogP2.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-bromophenyl)-N,N-dimethylacetamide (CID 4631595) is 2-(4-bromophenyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N,N-dimethylacetamide?
The InChIKey is CNGVHZAORFMGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-12(2)10(13)7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N,N-dimethylacetamide?
2-(4-bromophenyl)-N,N-dimethylacetamide has a molecular weight of 242.12 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N,N-dimethylacetamide is sourced from PubChem (CID 4631595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).