N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide

C19H23ClN2O — CID 109002953

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
SMILESCC(C)c1ccc(NCC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O/c1-14(2)16-5-9-18(10-6-16)22-13-19(23)21-12-11-15-3-7-17(20)8-4-15/h3-10,14,22H,11-13H2,1-2H3,(H,21,23)
InChIKeyZPFVVSIWLVDLOB-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.23
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide

N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide (PubChem CID 109002953) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
PubChem CID109002953
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
SMILESCC(C)c1ccc(NCC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O/c1-14(2)16-5-9-18(10-6-16)22-13-19(23)21-12-11-15-3-7-17(20)8-4-15/h3-10,14,22H,11-13H2,1-2H3,(H,21,23)
InChIKeyZPFVVSIWLVDLOB-UHFFFAOYSA-N
XLogP4.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dimethylanilino)acetamide
CID 109002945
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
CID 78793009
2-(4-chloro-3-cyanoanilino)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 55475780
2-[2-(4-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109002847
3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027936
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]azanium
CID 9336451
3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]-N-propylbenzamide
CID 55897072
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 18293065
2-(1,3-benzodioxol-5-ylamino)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 109003009
2-(4-chloroanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 39385075
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7209221
2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide (CID 109002953) is N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide is CC(C)c1ccc(NCC(=O)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide?
The InChIKey is ZPFVVSIWLVDLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-14(2)16-5-9-18(10-6-16)22-13-19(23)21-12-11-15-3-7-17(20)8-4-15/h3-10,14,22H,11-13H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide has a molecular weight of 330.86 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide is sourced from PubChem (CID 109002953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).