N-ethyl-2-fluoro-4-methyl-N-propan-2-ylbenzamide

C13H18FNO — CID 79776951

IUPACN-ethyl-2-fluoro-4-methyl-N-propan-2-ylbenzamide
SMILESCCN(C(=O)c1ccc(C)cc1F)C(C)C
InChIInChI=1S/C13H18FNO/c1-5-15(9(2)3)13(16)11-7-6-10(4)8-12(11)14/h6-9H,5H2,1-4H3
InChIKeyQAYBEDBIICYFQB-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.00
Rot. Bonds3

About N-ethyl-2-fluoro-4-methyl-N-propan-2-ylbenzamide

N-ethyl-2-fluoro-4-methyl-N-propan-2-ylbenzamide (PubChem CID 79776951) 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-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-4-methyl-N-propan-2-ylbenzamide
PubChem CID79776951
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-ethyl-2-fluoro-4-methyl-N-propan-2-ylbenzamide
SMILESCCN(C(=O)c1ccc(C)cc1F)C(C)C
InChIInChI=1S/C13H18FNO/c1-5-15(9(2)3)13(16)11-7-6-10(4)8-12(11)14/h6-9H,5H2,1-4H3
InChIKeyQAYBEDBIICYFQB-UHFFFAOYSA-N
XLogP3.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-butan-2-yl-N-butyl-2-fluoro-4-methylbenzamide
CID 79778285
N-butan-2-yl-2-fluoro-N,4-dimethylbenzamide
CID 79778554
5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide
CID 61063559
2-[(2-fluoro-5-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 62514429
N-ethyl-2-fluoro-4-methyl-N-propylbenzamide
CID 79779356
4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide
CID 43274768
N-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide
CID 62509539
4-chloro-N-ethyl-2-iodo-N-propan-2-ylbenzamide
CID 121012728
1-(2-fluoro-4-methylphenyl)-2-methylpentan-1-one
CID 107891346
N-(2-bromoethyl)-2,4-difluoro-N-propan-2-ylbenzamide
CID 80665263
N-ethyl-2-fluoro-N-(3-fluorophenyl)-4-methylbenzamide
CID 79769914
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide
CID 79796351

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-4-methyl-N-propan-2-ylbenzamide?
The IUPAC name of N-ethyl-2-fluoro-4-methyl-N-propan-2-ylbenzamide (CID 79776951) is N-ethyl-2-fluoro-4-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-ethyl-2-fluoro-4-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-ethyl-2-fluoro-4-methyl-N-propan-2-ylbenzamide is CCN(C(=O)c1ccc(C)cc1F)C(C)C.
What is the InChIKey of N-ethyl-2-fluoro-4-methyl-N-propan-2-ylbenzamide?
The InChIKey is QAYBEDBIICYFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-5-15(9(2)3)13(16)11-7-6-10(4)8-12(11)14/h6-9H,5H2,1-4H3.
What are the key properties of N-ethyl-2-fluoro-4-methyl-N-propan-2-ylbenzamide?
N-ethyl-2-fluoro-4-methyl-N-propan-2-ylbenzamide has a molecular weight of 223.29 g/mol, XLogP of 3.00, 3 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-propan-2-ylbenzamide is sourced from PubChem (CID 79776951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).