2-(tert-butylamino)-N-(4-chloro-3-cyanophenyl)acetamide

C13H16ClN3O — CID 79256372

IUPAC2-(tert-butylamino)-N-(4-chloro-3-cyanophenyl)acetamide
SMILESCC(C)(C)NCC(=O)Nc1ccc(Cl)c(C#N)c1
InChIInChI=1S/C13H16ClN3O/c1-13(2,3)16-8-12(18)17-10-4-5-11(14)9(6-10)7-15/h4-6,16H,8H2,1-3H3,(H,17,18)
InChIKeyPBVYAUQVRSAHGG-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.54
Rot. Bonds3

About 2-(tert-butylamino)-N-(4-chloro-3-cyanophenyl)acetamide

2-(tert-butylamino)-N-(4-chloro-3-cyanophenyl)acetamide (PubChem CID 79256372) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(4-chloro-3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(4-chloro-3-cyanophenyl)acetamide
PubChem CID79256372
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-(tert-butylamino)-N-(4-chloro-3-cyanophenyl)acetamide
SMILESCC(C)(C)NCC(=O)Nc1ccc(Cl)c(C#N)c1
InChIInChI=1S/C13H16ClN3O/c1-13(2,3)16-8-12(18)17-10-4-5-11(14)9(6-10)7-15/h4-6,16H,8H2,1-3H3,(H,17,18)
InChIKeyPBVYAUQVRSAHGG-UHFFFAOYSA-N
XLogP2.54
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 49488972
2-[2-(aminomethyl)phenyl]-N-(4-chloro-3-cyanophenyl)acetamide
CID 81311876
2-(tert-butylamino)-N-(3-hydroxy-4-methylphenyl)acetamide
CID 103828117
2-amino-N-(4-chloro-3-cyanophenyl)propanamide
CID 43703829
3-[[2-(tert-butylamino)acetyl]amino]-4-chlorobenzoic acid
CID 79256869
N-[4-[(4-chloro-3-cyanoanilino)methyl]phenyl]acetamide
CID 43686842
N-(4-chloro-3-cyanophenyl)-2-methyl-3-(methylamino)propanamide
CID 79196264
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-3-cyanophenyl)acetamide
CID 61118687
2-[(4-chloro-3-cyanophenyl)carbamoylamino]-2-ethylbutanoic acid
CID 139384614
N-(4-chloro-3-cyanophenyl)-3-piperidin-4-ylpropanamide
CID 62210704
N-(3-acetylphenyl)-2-(tert-butylamino)acetamide
CID 31628083
2-(tert-butylamino)-N-(3-methyl-4-nitrophenyl)acetamide
CID 79257620

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(4-chloro-3-cyanophenyl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(4-chloro-3-cyanophenyl)acetamide (CID 79256372) is 2-(tert-butylamino)-N-(4-chloro-3-cyanophenyl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(4-chloro-3-cyanophenyl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(4-chloro-3-cyanophenyl)acetamide is CC(C)(C)NCC(=O)Nc1ccc(Cl)c(C#N)c1.
What is the InChIKey of 2-(tert-butylamino)-N-(4-chloro-3-cyanophenyl)acetamide?
The InChIKey is PBVYAUQVRSAHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-13(2,3)16-8-12(18)17-10-4-5-11(14)9(6-10)7-15/h4-6,16H,8H2,1-3H3,(H,17,18).
What are the key properties of 2-(tert-butylamino)-N-(4-chloro-3-cyanophenyl)acetamide?
2-(tert-butylamino)-N-(4-chloro-3-cyanophenyl)acetamide has a molecular weight of 265.74 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(4-chloro-3-cyanophenyl)acetamide is sourced from PubChem (CID 79256372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).