2-(4-chloro-3-cyanoanilino)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide

C20H22ClN3O — CID 55475780

IUPAC2-(4-chloro-3-cyanoanilino)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCC(C)c1ccc(CCNC(=O)CNc2ccc(Cl)c(C#N)c2)cc1
InChIInChI=1S/C20H22ClN3O/c1-14(2)16-5-3-15(4-6-16)9-10-23-20(25)13-24-18-7-8-19(21)17(11-18)12-22/h3-8,11,14,24H,9-10,13H2,1-2H3,(H,23,25)
InChIKeyLHIVOYWJFSYVQO-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.11
Rot. Bonds7

About 2-(4-chloro-3-cyanoanilino)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide

2-(4-chloro-3-cyanoanilino)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide (PubChem CID 55475780) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 2-(4-chloro-3-cyanoanilino)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-cyanoanilino)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
PubChem CID55475780
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name2-(4-chloro-3-cyanoanilino)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCC(C)c1ccc(CCNC(=O)CNc2ccc(Cl)c(C#N)c2)cc1
InChIInChI=1S/C20H22ClN3O/c1-14(2)16-5-3-15(4-6-16)9-10-23-20(25)13-24-18-7-8-19(21)17(11-18)12-22/h3-8,11,14,24H,9-10,13H2,1-2H3,(H,23,25)
InChIKeyLHIVOYWJFSYVQO-UHFFFAOYSA-N
XLogP4.11
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
CID 109002953
3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]-N-propylbenzamide
CID 55897072
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
CID 78793009
2-(3-chloro-4-cyanoanilino)-N-propylacetamide
CID 43346078
N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dimethylanilino)acetamide
CID 109002945
2-chloro-5-(2-phenylethylamino)benzonitrile
CID 43425627
N-[4-[(4-chloro-3-cyanoanilino)methyl]phenyl]acetamide
CID 43686842
2-chloro-5-(2-methylpropylamino)benzonitrile
CID 43686844
2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide
CID 60671349
N-(2-cyanoethyl)-2-(3,4-dicyanoanilino)acetamide
CID 107789307
2-(4-amino-3-cyanoanilino)-N-propylacetamide
CID 113323851
2-(tert-butylamino)-N-(4-chloro-3-cyanophenyl)acetamide
CID 79256372

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-cyanoanilino)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-chloro-3-cyanoanilino)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide (CID 55475780) is 2-(4-chloro-3-cyanoanilino)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-cyanoanilino)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-cyanoanilino)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide is CC(C)c1ccc(CCNC(=O)CNc2ccc(Cl)c(C#N)c2)cc1.
What is the InChIKey of 2-(4-chloro-3-cyanoanilino)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The InChIKey is LHIVOYWJFSYVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-14(2)16-5-3-15(4-6-16)9-10-23-20(25)13-24-18-7-8-19(21)17(11-18)12-22/h3-8,11,14,24H,9-10,13H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-chloro-3-cyanoanilino)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
2-(4-chloro-3-cyanoanilino)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide has a molecular weight of 355.87 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-cyanoanilino)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 55475780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).