N,N-diethyl-2-fluoro-3-methylbenzamide

C12H16FNO — CID 80718588

IUPACN,N-diethyl-2-fluoro-3-methylbenzamide
SMILESCCN(CC)C(=O)c1cccc(C)c1F
InChIInChI=1S/C12H16FNO/c1-4-14(5-2)12(15)10-8-6-7-9(3)11(10)13/h6-8H,4-5H2,1-3H3
InChIKeyAHLJNZZFUIUIQK-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.62
Rot. Bonds3

About N,N-diethyl-2-fluoro-3-methylbenzamide

N,N-diethyl-2-fluoro-3-methylbenzamide (PubChem CID 80718588) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N,N-diethyl-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-2-fluoro-3-methylbenzamide
PubChem CID80718588
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN,N-diethyl-2-fluoro-3-methylbenzamide
SMILESCCN(CC)C(=O)c1cccc(C)c1F
InChIInChI=1S/C12H16FNO/c1-4-14(5-2)12(15)10-8-6-7-9(3)11(10)13/h6-8H,4-5H2,1-3H3
InChIKeyAHLJNZZFUIUIQK-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide
CID 81477271
3-chloro-N,N-diethyl-2-fluorobenzamide
CID 80949009
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide
CID 80710544
N-ethyl-2-fluoro-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 80719027
N,N-diethyl-2-methoxy-3-methylbenzamide
CID 12902424
2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 80717799
2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid
CID 81267588
2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81481850
N-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55100293
N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80719091
N,N-diethyl-3-methyl-2-nitrobenzamide
CID 2186690
N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78865711

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-fluoro-3-methylbenzamide?
The IUPAC name of N,N-diethyl-2-fluoro-3-methylbenzamide (CID 80718588) is N,N-diethyl-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N,N-diethyl-2-fluoro-3-methylbenzamide?
The canonical SMILES for N,N-diethyl-2-fluoro-3-methylbenzamide is CCN(CC)C(=O)c1cccc(C)c1F.
What is the InChIKey of N,N-diethyl-2-fluoro-3-methylbenzamide?
The InChIKey is AHLJNZZFUIUIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-4-14(5-2)12(15)10-8-6-7-9(3)11(10)13/h6-8H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-fluoro-3-methylbenzamide?
N,N-diethyl-2-fluoro-3-methylbenzamide has a molecular weight of 209.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 80718588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).