3-acetamido-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide

C19H20ClFN2O2 — CID 4884406

IUPAC3-acetamido-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)N(C)Cc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C19H20ClFN2O2/c1-13(24)22-18(14-7-4-3-5-8-14)11-19(25)23(2)12-15-16(20)9-6-10-17(15)21/h3-10,18H,11-12H2,1-2H3,(H,22,24)
InChIKeyXMCJORNKTPQCKL-UHFFFAOYSA-N
MW362.83 g/mol
LogP3.70
Rot. Bonds6

About 3-acetamido-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide

3-acetamido-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide (PubChem CID 4884406) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is 3-acetamido-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
PubChem CID4884406
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name3-acetamido-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)N(C)Cc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C19H20ClFN2O2/c1-13(24)22-18(14-7-4-3-5-8-14)11-19(25)23(2)12-15-16(20)9-6-10-17(15)21/h3-10,18H,11-12H2,1-2H3,(H,22,24)
InChIKeyXMCJORNKTPQCKL-UHFFFAOYSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide (CID 4884406) is 3-acetamido-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide is CC(=O)NC(CC(=O)N(C)Cc1c(F)cccc1Cl)c1ccccc1.
What is the InChIKey of 3-acetamido-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide?
The InChIKey is XMCJORNKTPQCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-13(24)22-18(14-7-4-3-5-8-14)11-19(25)23(2)12-15-16(20)9-6-10-17(15)21/h3-10,18H,11-12H2,1-2H3,(H,22,24).
What are the key properties of 3-acetamido-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide?
3-acetamido-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide has a molecular weight of 362.83 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 4884406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).