3-bromo-2-chloro-N,N-dimethylbenzamide

C9H9BrClNO — CID 103993799

IUPAC3-bromo-2-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C9H9BrClNO/c1-12(2)9(13)6-4-3-5-7(10)8(6)11/h3-5H,1-2H3
InChIKeyKDTLIGWXEIEHCY-UHFFFAOYSA-N
MW262.53 g/mol
LogP2.80
Rot. Bonds1

About 3-bromo-2-chloro-N,N-dimethylbenzamide

3-bromo-2-chloro-N,N-dimethylbenzamide (PubChem CID 103993799) has the molecular formula C9H9BrClNO and a molecular weight of 262.53 g/mol. Its IUPAC name is 3-bromo-2-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N,N-dimethylbenzamide
PubChem CID103993799
Molecular FormulaC9H9BrClNO
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC Name3-bromo-2-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C9H9BrClNO/c1-12(2)9(13)6-4-3-5-7(10)8(6)11/h3-5H,1-2H3
InChIKeyKDTLIGWXEIEHCY-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.53
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N,N-dimethylbenzamide?
The IUPAC name of 3-bromo-2-chloro-N,N-dimethylbenzamide (CID 103993799) is 3-bromo-2-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 3-bromo-2-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 3-bromo-2-chloro-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N,N-dimethylbenzamide?
The InChIKey is KDTLIGWXEIEHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO/c1-12(2)9(13)6-4-3-5-7(10)8(6)11/h3-5H,1-2H3.
What are the key properties of 3-bromo-2-chloro-N,N-dimethylbenzamide?
3-bromo-2-chloro-N,N-dimethylbenzamide has a molecular weight of 262.53 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 103993799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).