N-(1-cyano-1-cyclopropylethyl)-2-(2,5-dichloroanilino)acetamide

C14H15Cl2N3O — CID 43015950

IUPACN-(1-cyano-1-cyclopropylethyl)-2-(2,5-dichloroanilino)acetamide
SMILESCC(C#N)(NC(=O)CNc1cc(Cl)ccc1Cl)C1CC1
InChIInChI=1S/C14H15Cl2N3O/c1-14(8-17,9-2-3-9)19-13(20)7-18-12-6-10(15)4-5-11(12)16/h4-6,9,18H,2-3,7H2,1H3,(H,19,20)
InChIKeyFGJGJCGAWDEZRC-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.21
Rot. Bonds5

About N-(1-cyano-1-cyclopropylethyl)-2-(2,5-dichloroanilino)acetamide

N-(1-cyano-1-cyclopropylethyl)-2-(2,5-dichloroanilino)acetamide (PubChem CID 43015950) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is N-(1-cyano-1-cyclopropylethyl)-2-(2,5-dichloroanilino)acetamide.

Molecular Properties

Compound NameN-(1-cyano-1-cyclopropylethyl)-2-(2,5-dichloroanilino)acetamide
PubChem CID43015950
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC NameN-(1-cyano-1-cyclopropylethyl)-2-(2,5-dichloroanilino)acetamide
SMILESCC(C#N)(NC(=O)CNc1cc(Cl)ccc1Cl)C1CC1
InChIInChI=1S/C14H15Cl2N3O/c1-14(8-17,9-2-3-9)19-13(20)7-18-12-6-10(15)4-5-11(12)16/h4-6,9,18H,2-3,7H2,1H3,(H,19,20)
InChIKeyFGJGJCGAWDEZRC-UHFFFAOYSA-N
XLogP3.21
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 37471767
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,3,4-trifluoroanilino)acetamide
CID 51862267
N-(1-cyano-1-cyclopropylethyl)-2-(3,5-dichloroanilino)acetamide
CID 47109692
2-(3-chloro-2-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 47123731
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,4-dimethylanilino)acetamide
CID 37473194
N-(1-cyano-1-cyclopropylethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide
CID 51095929
2-(2-acetyl-5-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 86788068
2-(5-amino-2-chlorophenyl)sulfanyl-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 79133889
methyl 2-[[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]amino]-4-fluorobenzoate
CID 94630899
2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 7531377
2-(3-acetamido-4-methylanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 94630869
2-(4-bromo-3-methylanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 47107181

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-(2,5-dichloroanilino)acetamide?
The IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-(2,5-dichloroanilino)acetamide (CID 43015950) is N-(1-cyano-1-cyclopropylethyl)-2-(2,5-dichloroanilino)acetamide.
What is the SMILES notation for N-(1-cyano-1-cyclopropylethyl)-2-(2,5-dichloroanilino)acetamide?
The canonical SMILES for N-(1-cyano-1-cyclopropylethyl)-2-(2,5-dichloroanilino)acetamide is CC(C#N)(NC(=O)CNc1cc(Cl)ccc1Cl)C1CC1.
What is the InChIKey of N-(1-cyano-1-cyclopropylethyl)-2-(2,5-dichloroanilino)acetamide?
The InChIKey is FGJGJCGAWDEZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-14(8-17,9-2-3-9)19-13(20)7-18-12-6-10(15)4-5-11(12)16/h4-6,9,18H,2-3,7H2,1H3,(H,19,20).
What are the key properties of N-(1-cyano-1-cyclopropylethyl)-2-(2,5-dichloroanilino)acetamide?
N-(1-cyano-1-cyclopropylethyl)-2-(2,5-dichloroanilino)acetamide has a molecular weight of 312.20 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-1-cyclopropylethyl)-2-(2,5-dichloroanilino)acetamide is sourced from PubChem (CID 43015950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).