N,N,4-triethyl-2-fluorobenzamide

C13H18FNO — CID 69055558

IUPACN,N,4-triethyl-2-fluorobenzamide
SMILESCCc1ccc(C(=O)N(CC)CC)c(F)c1
InChIInChI=1S/C13H18FNO/c1-4-10-7-8-11(12(14)9-10)13(16)15(5-2)6-3/h7-9H,4-6H2,1-3H3
InChIKeyDVLVPYXYGCUDIW-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.87
Rot. Bonds4

About N,N,4-triethyl-2-fluorobenzamide

N,N,4-triethyl-2-fluorobenzamide (PubChem CID 69055558) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N,N,4-triethyl-2-fluorobenzamide.

Molecular Properties

Compound NameN,N,4-triethyl-2-fluorobenzamide
PubChem CID69055558
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN,N,4-triethyl-2-fluorobenzamide
SMILESCCc1ccc(C(=O)N(CC)CC)c(F)c1
InChIInChI=1S/C13H18FNO/c1-4-10-7-8-11(12(14)9-10)13(16)15(5-2)6-3/h7-9H,4-6H2,1-3H3
InChIKeyDVLVPYXYGCUDIW-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-fluoro-4-methyl-N-propylbenzamide
CID 79779356
N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825
N-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide
CID 80661130
N-[3-(dimethylamino)propyl]-4-ethyl-2-fluorobenzamide
CID 123952804
N-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide
CID 107677539
4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 60740683
4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79380808
3-[ethyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
CID 107674771
N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide
CID 103602990
N-(3-bromopropyl)-N-ethyl-2-fluoro-4-hydroxybenzamide
CID 107677720
5-bromo-N,N-diethyl-2-fluoro-4-methylbenzamide
CID 146171179
N-(3-amino-2-methylpropyl)-N-ethyl-2,4-difluorobenzamide
CID 54987846

Frequently Asked Questions

What is the IUPAC name of N,N,4-triethyl-2-fluorobenzamide?
The IUPAC name of N,N,4-triethyl-2-fluorobenzamide (CID 69055558) is N,N,4-triethyl-2-fluorobenzamide.
What is the SMILES notation for N,N,4-triethyl-2-fluorobenzamide?
The canonical SMILES for N,N,4-triethyl-2-fluorobenzamide is CCc1ccc(C(=O)N(CC)CC)c(F)c1.
What is the InChIKey of N,N,4-triethyl-2-fluorobenzamide?
The InChIKey is DVLVPYXYGCUDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-4-10-7-8-11(12(14)9-10)13(16)15(5-2)6-3/h7-9H,4-6H2,1-3H3.
What are the key properties of N,N,4-triethyl-2-fluorobenzamide?
N,N,4-triethyl-2-fluorobenzamide has a molecular weight of 223.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-triethyl-2-fluorobenzamide is sourced from PubChem (CID 69055558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).