N-[(3-chloro-4-fluorophenyl)methyl]-2-methoxypropanamide

C11H13ClFNO2 — CID 115602079

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13ClFNO2/c1-7(16-2)11(15)14-6-8-3-4-10(13)9(12)5-8/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyDRHSQMNRFYVDSG-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.13
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]-2-methoxypropanamide

N-[(3-chloro-4-fluorophenyl)methyl]-2-methoxypropanamide (PubChem CID 115602079) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-2-methoxypropanamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-2-methoxypropanamide
PubChem CID115602079
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H13ClFNO2/c1-7(16-2)11(15)14-6-8-3-4-10(13)9(12)5-8/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyDRHSQMNRFYVDSG-UHFFFAOYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-methoxypropanamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-methoxypropanamide (CID 115602079) is N-[(3-chloro-4-fluorophenyl)methyl]-2-methoxypropanamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-2-methoxypropanamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-2-methoxypropanamide is COC(C)C(=O)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-2-methoxypropanamide?
The InChIKey is DRHSQMNRFYVDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-7(16-2)11(15)14-6-8-3-4-10(13)9(12)5-8/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-2-methoxypropanamide?
N-[(3-chloro-4-fluorophenyl)methyl]-2-methoxypropanamide has a molecular weight of 245.68 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-2-methoxypropanamide is sourced from PubChem (CID 115602079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).