N-[2-(4-chlorophenoxy)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide

C18H19ClF2N2O2 — CID 8688905

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)NCCOc1ccc(Cl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C18H19ClF2N2O2/c1-12(16-7-4-14(20)10-17(16)21)23-11-18(24)22-8-9-25-15-5-2-13(19)3-6-15/h2-7,10,12,23H,8-9,11H2,1H3,(H,22,24)/t12-/m0/s1
InChIKeyKWCNSNXJWPGREQ-LBPRGKRZSA-N
MW368.81 g/mol
LogP3.46
Rot. Bonds8

About N-[2-(4-chlorophenoxy)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide

N-[2-(4-chlorophenoxy)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide (PubChem CID 8688905) has the molecular formula C18H19ClF2N2O2 and a molecular weight of 368.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
PubChem CID8688905
Molecular FormulaC18H19ClF2N2O2
Molecular Weight368.81 g/mol
Exact Mass368.11
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)NCCOc1ccc(Cl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C18H19ClF2N2O2/c1-12(16-7-4-14(20)10-17(16)21)23-11-18(24)22-8-9-25-15-5-2-13(19)3-6-15/h2-7,10,12,23H,8-9,11H2,1H3,(H,22,24)/t12-/m0/s1
InChIKeyKWCNSNXJWPGREQ-LBPRGKRZSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.81
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(4-chlorophenoxy)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide
CID 43401006
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369268
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 8688787
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 8689093
N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9370342
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(methylcarbamoyl)acetamide
CID 8711015
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9370392
N-(3-chlorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369862
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 8636590
2-(2,4-difluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109005391
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide
CID 9369815
N-(2,6-difluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369757

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide (CID 8688905) is N-[2-(4-chlorophenoxy)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide is C[C@H](NCC(=O)NCCOc1ccc(Cl)cc1)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide?
The InChIKey is KWCNSNXJWPGREQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19ClF2N2O2/c1-12(16-7-4-14(20)10-17(16)21)23-11-18(24)22-8-9-25-15-5-2-13(19)3-6-15/h2-7,10,12,23H,8-9,11H2,1H3,(H,22,24)/t12-/m0/s1.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide?
N-[2-(4-chlorophenoxy)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide has a molecular weight of 368.81 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 8688905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).