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

C9H9ClFNO — CID 57234037

IUPAC2-chloro-3-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(F)c1Cl
InChIInChI=1S/C9H9ClFNO/c1-12(2)9(13)6-4-3-5-7(11)8(6)10/h3-5H,1-2H3
InChIKeyBMUSWMKXXAGTQP-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.18
Rot. Bonds1

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

2-chloro-3-fluoro-N,N-dimethylbenzamide (PubChem CID 57234037) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 2-chloro-3-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-3-fluoro-N,N-dimethylbenzamide
PubChem CID57234037
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name2-chloro-3-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(F)c1Cl
InChIInChI=1S/C9H9ClFNO/c1-12(2)9(13)6-4-3-5-7(11)8(6)10/h3-5H,1-2H3
InChIKeyBMUSWMKXXAGTQP-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

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Related Compounds

2-[(2-chloro-3-fluorobenzoyl)-methylamino]benzoic acid
CID 81454401
3-chloro-2-fluoro-N,N-dimethylbenzamide
CID 80979607
N-[(4-bromophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide
CID 79035791
2-chloro-3-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 81453111
2-chloro-N-(3-cyanophenyl)-3-fluoro-N-methylbenzamide
CID 79035918
ethyl 3-[(2-chloro-3-fluorobenzoyl)-methylamino]propanoate
CID 79035694
methyl 3-[(2-chloro-3-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 79035725
N-(3-carbamothioylphenyl)-2-chloro-3-fluoro-N-methylbenzamide
CID 81453831
N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide
CID 81453152
N-(2-amino-2-sulfanylideneethyl)-2-chloro-N-ethyl-3-fluorobenzamide
CID 81454050
2-chloro-N-(3-chloropropyl)-3-fluoro-N-propan-2-ylbenzamide
CID 81461932
1-(2-chloro-3-fluorophenyl)-3-methylbut-2-en-1-one
CID 115780660

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-3-fluoro-N,N-dimethylbenzamide (CID 57234037) is 2-chloro-3-fluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-3-fluoro-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-3-fluoro-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-3-fluoro-N,N-dimethylbenzamide?
The InChIKey is BMUSWMKXXAGTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-12(2)9(13)6-4-3-5-7(11)8(6)10/h3-5H,1-2H3.
What are the key properties of 2-chloro-3-fluoro-N,N-dimethylbenzamide?
2-chloro-3-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 2-chloro-3-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 57234037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).