N-[(2-chlorophenyl)methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide

C18H19ClFN3O2 — CID 2462331

IUPACN-[(2-chlorophenyl)methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NCc1ccccc1Cl)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H19ClFN3O2/c1-23(12-18(25)22-15-7-4-6-14(20)9-15)11-17(24)21-10-13-5-2-3-8-16(13)19/h2-9H,10-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyGDTLWAXQNONNFX-UHFFFAOYSA-N
MW363.82 g/mol
LogP2.67
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide

N-[(2-chlorophenyl)methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 2462331) has the molecular formula C18H19ClFN3O2 and a molecular weight of 363.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID2462331
Molecular FormulaC18H19ClFN3O2
Molecular Weight363.82 g/mol
Exact Mass363.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NCc1ccccc1Cl)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H19ClFN3O2/c1-23(12-18(25)22-15-7-4-6-14(20)9-15)11-17(24)21-10-13-5-2-3-8-16(13)19/h2-9H,10-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyGDTLWAXQNONNFX-UHFFFAOYSA-N
XLogP2.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide (CID 2462331) is N-[(2-chlorophenyl)methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)NCc1ccccc1Cl)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is GDTLWAXQNONNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O2/c1-23(12-18(25)22-15-7-4-6-14(20)9-15)11-17(24)21-10-13-5-2-3-8-16(13)19/h2-9H,10-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
N-[(2-chlorophenyl)methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 363.82 g/mol, XLogP of 2.67, 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-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 2462331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).