4-bromo-3-chloro-5-fluoro-N,N-dimethylbenzamide

C9H8BrClFNO — CID 177301592

IUPAC4-bromo-3-chloro-5-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(F)c(Br)c(Cl)c1
InChIInChI=1S/C9H8BrClFNO/c1-13(2)9(14)5-3-6(11)8(10)7(12)4-5/h3-4H,1-2H3
InChIKeyZGQISLKCAOVDLZ-UHFFFAOYSA-N
MW280.52 g/mol
LogP2.94
Rot. Bonds1

About 4-bromo-3-chloro-5-fluoro-N,N-dimethylbenzamide

4-bromo-3-chloro-5-fluoro-N,N-dimethylbenzamide (PubChem CID 177301592) has the molecular formula C9H8BrClFNO and a molecular weight of 280.52 g/mol. Its IUPAC name is 4-bromo-3-chloro-5-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-5-fluoro-N,N-dimethylbenzamide
PubChem CID177301592
Molecular FormulaC9H8BrClFNO
Molecular Weight280.52 g/mol
Exact Mass278.95
IUPAC Name4-bromo-3-chloro-5-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(F)c(Br)c(Cl)c1
InChIInChI=1S/C9H8BrClFNO/c1-13(2)9(14)5-3-6(11)8(10)7(12)4-5/h3-4H,1-2H3
InChIKeyZGQISLKCAOVDLZ-UHFFFAOYSA-N
XLogP2.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.52
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-bromo-3-chloro-5-fluoro-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-3-chloro-5-fluorobenzamide
CID 130977761
4-bromo-3-cyclopropyl-5-fluoro-N,N-dimethylbenzamide
CID 177301360
4-bromo-3-chloro-N,N-dimethyl-5-sulfamoylbenzamide
CID 81291381
4-amino-3-fluoro-N,N,5-trimethylbenzamide
CID 177300697
4-(bromomethyl)-3-fluoro-N,N-dimethylbenzamide
CID 135152216
2-(4-bromo-3-chloro-5-fluorophenyl)propanoic acid
CID 117452032
3-chloro-5-(dimethylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65370842
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 38956363
3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide
CID 145439185
[3-(dimethylcarbamoyl)-5-fluorophenyl]boronic acid
CID 44717543
2-chloro-4-(dimethylcarbamoyl)benzoic acid
CID 66878016
5-(dimethylcarbamoyl)-3-fluoro-2-methoxybenzenesulfonyl chloride
CID 65372377

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-5-fluoro-N,N-dimethylbenzamide?
The IUPAC name of 4-bromo-3-chloro-5-fluoro-N,N-dimethylbenzamide (CID 177301592) is 4-bromo-3-chloro-5-fluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 4-bromo-3-chloro-5-fluoro-N,N-dimethylbenzamide?
The canonical SMILES for 4-bromo-3-chloro-5-fluoro-N,N-dimethylbenzamide is CN(C)C(=O)c1cc(F)c(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-5-fluoro-N,N-dimethylbenzamide?
The InChIKey is ZGQISLKCAOVDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClFNO/c1-13(2)9(14)5-3-6(11)8(10)7(12)4-5/h3-4H,1-2H3.
What are the key properties of 4-bromo-3-chloro-5-fluoro-N,N-dimethylbenzamide?
4-bromo-3-chloro-5-fluoro-N,N-dimethylbenzamide has a molecular weight of 280.52 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-5-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 177301592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).