N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide

C13H17ClFNO — CID 22954083

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide
SMILESCCN(Cc1c(F)cccc1Cl)C(=O)C(C)C
InChIInChI=1S/C13H17ClFNO/c1-4-16(13(17)9(2)3)8-10-11(14)6-5-7-12(10)15/h5-7,9H,4,8H2,1-3H3
InChIKeyQRUBTLAXUHYHDM-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.48
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide (PubChem CID 22954083) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide
PubChem CID22954083
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide
SMILESCCN(Cc1c(F)cccc1Cl)C(=O)C(C)C
InChIInChI=1S/C13H17ClFNO/c1-4-16(13(17)9(2)3)8-10-11(14)6-5-7-12(10)15/h5-7,9H,4,8H2,1-3H3
InChIKeyQRUBTLAXUHYHDM-UHFFFAOYSA-N
XLogP3.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide (CID 22954083) is N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide is CCN(Cc1c(F)cccc1Cl)C(=O)C(C)C.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide?
The InChIKey is QRUBTLAXUHYHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-4-16(13(17)9(2)3)8-10-11(14)6-5-7-12(10)15/h5-7,9H,4,8H2,1-3H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide has a molecular weight of 257.74 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methylpropanamide is sourced from PubChem (CID 22954083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).