2-(2-chloroanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide

C14H16ClN3O — CID 37471767

IUPAC2-(2-chloroanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
SMILESC[C@](C#N)(NC(=O)CNc1ccccc1Cl)C1CC1
InChIInChI=1S/C14H16ClN3O/c1-14(9-16,10-6-7-10)18-13(19)8-17-12-5-3-2-4-11(12)15/h2-5,10,17H,6-8H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyWOKBFEDXMRECDL-CQSZACIVSA-N
MW277.75 g/mol
LogP2.56
Rot. Bonds5

About 2-(2-chloroanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide

2-(2-chloroanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide (PubChem CID 37471767) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
PubChem CID37471767
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name2-(2-chloroanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
SMILESC[C@](C#N)(NC(=O)CNc1ccccc1Cl)C1CC1
InChIInChI=1S/C14H16ClN3O/c1-14(9-16,10-6-7-10)18-13(19)8-17-12-5-3-2-4-11(12)15/h2-5,10,17H,6-8H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyWOKBFEDXMRECDL-CQSZACIVSA-N
XLogP2.56
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 47123731
N-(1-cyano-1-cyclopropylethyl)-2-(2,5-dichloroanilino)acetamide
CID 43015950
2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 7531377
2-(2-benzylsulfanylanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 42921588
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,3,4-trifluoroanilino)acetamide
CID 51862267
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,4-dimethylanilino)acetamide
CID 37473194
2-(2-chloroanilino)-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 43015934
N-(1-cyano-1-cyclopropylethyl)-2-(3,5-dichloroanilino)acetamide
CID 47109692
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]acetamide
CID 94498516
2-(2-acetyl-5-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 86788068
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7998536
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] (2R)-2-[(2-chlorobenzoyl)amino]propanoate
CID 9108875

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide?
The IUPAC name of 2-(2-chloroanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide (CID 37471767) is 2-(2-chloroanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide?
The canonical SMILES for 2-(2-chloroanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide is C[C@](C#N)(NC(=O)CNc1ccccc1Cl)C1CC1.
What is the InChIKey of 2-(2-chloroanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide?
The InChIKey is WOKBFEDXMRECDL-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-14(9-16,10-6-7-10)18-13(19)8-17-12-5-3-2-4-11(12)15/h2-5,10,17H,6-8H2,1H3,(H,18,19)/t14-/m1/s1.
What are the key properties of 2-(2-chloroanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide?
2-(2-chloroanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide has a molecular weight of 277.75 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide is sourced from PubChem (CID 37471767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).