N-(5-chloro-2-cyanophenyl)-2-(2-ethyl-6-methylanilino)acetamide

C18H18ClN3O — CID 60537508

IUPACN-(5-chloro-2-cyanophenyl)-2-(2-ethyl-6-methylanilino)acetamide
SMILESCCc1cccc(C)c1NCC(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C18H18ClN3O/c1-3-13-6-4-5-12(2)18(13)21-11-17(23)22-16-9-15(19)8-7-14(16)10-20/h4-9,21H,3,11H2,1-2H3,(H,22,23)
InChIKeyNDAYEBHJEGGVQO-UHFFFAOYSA-N
MW327.82 g/mol
LogP4.13
Rot. Bonds5

About N-(5-chloro-2-cyanophenyl)-2-(2-ethyl-6-methylanilino)acetamide

N-(5-chloro-2-cyanophenyl)-2-(2-ethyl-6-methylanilino)acetamide (PubChem CID 60537508) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-(2-ethyl-6-methylanilino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-(2-ethyl-6-methylanilino)acetamide
PubChem CID60537508
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-(2-ethyl-6-methylanilino)acetamide
SMILESCCc1cccc(C)c1NCC(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C18H18ClN3O/c1-3-13-6-4-5-12(2)18(13)21-11-17(23)22-16-9-15(19)8-7-14(16)10-20/h4-9,21H,3,11H2,1-2H3,(H,22,23)
InChIKeyNDAYEBHJEGGVQO-UHFFFAOYSA-N
XLogP4.13
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide
CID 60645682
N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
CID 9102944
2-(5-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 2649472
2-(2-ethyl-6-methylanilino)-N-(2-ethylphenyl)acetamide
CID 109007629
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
N-(5-chloro-2-cyanophenyl)-2-(2-chlorophenyl)acetamide
CID 60628654
N-(2,5-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004454
N-(2,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004326
N-(5-chloro-2-cyanophenyl)-2-[3-(diethylsulfamoyl)anilino]acetamide
CID 9083540
N-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 87029057
2-(5-chloro-2-cyanoanilino)-N-ethylacetamide
CID 63081915
2-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide
CID 64918984

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-(2-ethyl-6-methylanilino)acetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-(2-ethyl-6-methylanilino)acetamide (CID 60537508) is N-(5-chloro-2-cyanophenyl)-2-(2-ethyl-6-methylanilino)acetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-(2-ethyl-6-methylanilino)acetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-(2-ethyl-6-methylanilino)acetamide is CCc1cccc(C)c1NCC(=O)Nc1cc(Cl)ccc1C#N.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-(2-ethyl-6-methylanilino)acetamide?
The InChIKey is NDAYEBHJEGGVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-3-13-6-4-5-12(2)18(13)21-11-17(23)22-16-9-15(19)8-7-14(16)10-20/h4-9,21H,3,11H2,1-2H3,(H,22,23).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-(2-ethyl-6-methylanilino)acetamide?
N-(5-chloro-2-cyanophenyl)-2-(2-ethyl-6-methylanilino)acetamide has a molecular weight of 327.82 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-(2-ethyl-6-methylanilino)acetamide is sourced from PubChem (CID 60537508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).