N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide

C18H19ClN2O3 — CID 4881699

IUPACN-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide
SMILESCC(NC(=O)COc1ccccc1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O3/c1-13(18(23)20-11-14-7-5-6-10-16(14)19)21-17(22)12-24-15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyGAGQTNNESSKCHX-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.54
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide

N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide (PubChem CID 4881699) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide
PubChem CID4881699
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide
SMILESCC(NC(=O)COc1ccccc1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O3/c1-13(18(23)20-11-14-7-5-6-10-16(14)19)21-17(22)12-24-15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyGAGQTNNESSKCHX-UHFFFAOYSA-N
XLogP2.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide (CID 4881699) is N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide is CC(NC(=O)COc1ccccc1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide?
The InChIKey is GAGQTNNESSKCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-13(18(23)20-11-14-7-5-6-10-16(14)19)21-17(22)12-24-15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide?
N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide has a molecular weight of 346.81 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide is sourced from PubChem (CID 4881699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).