3-chloro-2-fluoro-N,N-dimethylbenzamide

C9H9ClFNO — CID 80979607

IUPAC3-chloro-2-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C9H9ClFNO/c1-12(2)9(13)6-4-3-5-7(10)8(6)11/h3-5H,1-2H3
InChIKeyRQBPHASVFNNTIR-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.18
Rot. Bonds1

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

3-chloro-2-fluoro-N,N-dimethylbenzamide (PubChem CID 80979607) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N,N-dimethylbenzamide
PubChem CID80979607
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name3-chloro-2-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C9H9ClFNO/c1-12(2)9(13)6-4-3-5-7(10)8(6)11/h3-5H,1-2H3
InChIKeyRQBPHASVFNNTIR-UHFFFAOYSA-N
XLogP2.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-chloro-2-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

3-chloro-N,N-diethyl-2-fluorobenzamide
CID 80949009
3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115869389
3-bromo-2-fluoro-N,N-dimethylbenzamide
CID 59375042
2-chloro-3-fluoro-N,N-dimethylbenzamide
CID 57234037
2-amino-3-chloro-N,N-dimethylbenzamide
CID 68799362
methyl 2-[(3-chloro-2-fluorobenzoyl)-methylamino]acetate
CID 80979404
N-(2-carbamothioylphenyl)-3-chloro-2-fluoro-N-methylbenzamide
CID 81265838
N-(5-bromopentyl)-3-chloro-2-fluoro-N-methylbenzamide
CID 107206107
N-(3-amino-3-sulfanylidenepropyl)-3-chloro-2-fluoro-N-methylbenzamide
CID 81265606
2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid
CID 81267588
2-(2-chlorophenyl)-N,N-dimethylbenzamide
CID 175929167
N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide
CID 81265785

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N,N-dimethylbenzamide?
The IUPAC name of 3-chloro-2-fluoro-N,N-dimethylbenzamide (CID 80979607) is 3-chloro-2-fluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 3-chloro-2-fluoro-N,N-dimethylbenzamide?
The canonical SMILES for 3-chloro-2-fluoro-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N,N-dimethylbenzamide?
The InChIKey is RQBPHASVFNNTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/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-chloro-2-fluoro-N,N-dimethylbenzamide?
3-chloro-2-fluoro-N,N-dimethylbenzamide has a molecular weight of 201.63 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 80979607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).