N-ethyl-2-fluoro-4-methyl-N-propylbenzamide

C13H18FNO — CID 79779356

IUPACN-ethyl-2-fluoro-4-methyl-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1ccc(C)cc1F
InChIInChI=1S/C13H18FNO/c1-4-8-15(5-2)13(16)11-7-6-10(3)9-12(11)14/h6-7,9H,4-5,8H2,1-3H3
InChIKeyODPPDYRQSHANRE-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.01
Rot. Bonds4

About N-ethyl-2-fluoro-4-methyl-N-propylbenzamide

N-ethyl-2-fluoro-4-methyl-N-propylbenzamide (PubChem CID 79779356) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-ethyl-2-fluoro-4-methyl-N-propylbenzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-4-methyl-N-propylbenzamide
PubChem CID79779356
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-ethyl-2-fluoro-4-methyl-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1ccc(C)cc1F
InChIInChI=1S/C13H18FNO/c1-4-8-15(5-2)13(16)11-7-6-10(3)9-12(11)14/h6-7,9H,4-5,8H2,1-3H3
InChIKeyODPPDYRQSHANRE-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide
CID 79796018
2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 79786127
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide
CID 79796351
2-amino-N-ethyl-5-methyl-N-propylbenzamide
CID 62511065
N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-methylbenzamide
CID 62512852
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
N-ethyl-2-fluoro-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79770274
N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825
N-ethyl-2-fluoro-4-methyl-N-propan-2-ylbenzamide
CID 79776951
N-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide
CID 104929967
2-amino-5-methyl-N,N-dipropylbenzamide
CID 62073624
N-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide
CID 80661130

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-4-methyl-N-propylbenzamide?
The IUPAC name of N-ethyl-2-fluoro-4-methyl-N-propylbenzamide (CID 79779356) is N-ethyl-2-fluoro-4-methyl-N-propylbenzamide.
What is the SMILES notation for N-ethyl-2-fluoro-4-methyl-N-propylbenzamide?
The canonical SMILES for N-ethyl-2-fluoro-4-methyl-N-propylbenzamide is CCCN(CC)C(=O)c1ccc(C)cc1F.
What is the InChIKey of N-ethyl-2-fluoro-4-methyl-N-propylbenzamide?
The InChIKey is ODPPDYRQSHANRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-4-8-15(5-2)13(16)11-7-6-10(3)9-12(11)14/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of N-ethyl-2-fluoro-4-methyl-N-propylbenzamide?
N-ethyl-2-fluoro-4-methyl-N-propylbenzamide has a molecular weight of 223.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-4-methyl-N-propylbenzamide is sourced from PubChem (CID 79779356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).