2-(2-chloroanilino)-N-(2-cyano-3-methylbutan-2-yl)acetamide

C14H18ClN3O — CID 43015934

IUPAC2-(2-chloroanilino)-N-(2-cyano-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CNc1ccccc1Cl
InChIInChI=1S/C14H18ClN3O/c1-10(2)14(3,9-16)18-13(19)8-17-12-7-5-4-6-11(12)15/h4-7,10,17H,8H2,1-3H3,(H,18,19)
InChIKeyJBAVNQXTLUTFDJ-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.81
Rot. Bonds5

About 2-(2-chloroanilino)-N-(2-cyano-3-methylbutan-2-yl)acetamide

2-(2-chloroanilino)-N-(2-cyano-3-methylbutan-2-yl)acetamide (PubChem CID 43015934) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-(2-cyano-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-(2-cyano-3-methylbutan-2-yl)acetamide
PubChem CID43015934
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-(2-chloroanilino)-N-(2-cyano-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CNc1ccccc1Cl
InChIInChI=1S/C14H18ClN3O/c1-10(2)14(3,9-16)18-13(19)8-17-12-7-5-4-6-11(12)15/h4-7,10,17H,8H2,1-3H3,(H,18,19)
InChIKeyJBAVNQXTLUTFDJ-UHFFFAOYSA-N
XLogP2.81
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 95292352
2-(2-chloroanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 37471767
2-[4-chloro-3-(trifluoromethyl)anilino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 51883684
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylanilino)acetamide
CID 94183956
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-fluoroanilino)acetamide
CID 51727361
2-(2-chloroanilino)-N-[(1R)-1-cyanopropyl]acetamide
CID 94796731
2-(2-acetamido-4,5-difluoroanilino)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 95282516
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3,5-dimethylanilino)acetamide
CID 51726807
N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide
CID 78547582
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755250
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7744021
2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7867252

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-(2-cyano-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-chloroanilino)-N-(2-cyano-3-methylbutan-2-yl)acetamide (CID 43015934) is 2-(2-chloroanilino)-N-(2-cyano-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-(2-cyano-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-chloroanilino)-N-(2-cyano-3-methylbutan-2-yl)acetamide is CC(C)C(C)(C#N)NC(=O)CNc1ccccc1Cl.
What is the InChIKey of 2-(2-chloroanilino)-N-(2-cyano-3-methylbutan-2-yl)acetamide?
The InChIKey is JBAVNQXTLUTFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-10(2)14(3,9-16)18-13(19)8-17-12-7-5-4-6-11(12)15/h4-7,10,17H,8H2,1-3H3,(H,18,19).
What are the key properties of 2-(2-chloroanilino)-N-(2-cyano-3-methylbutan-2-yl)acetamide?
2-(2-chloroanilino)-N-(2-cyano-3-methylbutan-2-yl)acetamide has a molecular weight of 279.77 g/mol, XLogP of 2.81, 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-(2-cyano-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 43015934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).