N-(5-chloro-2-methylphenyl)-2-(hex-5-ynylamino)acetamide

C15H19ClN2O — CID 106211851

IUPACN-(5-chloro-2-methylphenyl)-2-(hex-5-ynylamino)acetamide
SMILESC#CCCCCNCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C15H19ClN2O/c1-3-4-5-6-9-17-11-15(19)18-14-10-13(16)8-7-12(14)2/h1,7-8,10,17H,4-6,9,11H2,2H3,(H,18,19)
InChIKeyOQGNGOJPRLXJGT-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.98
Rot. Bonds7

About N-(5-chloro-2-methylphenyl)-2-(hex-5-ynylamino)acetamide

N-(5-chloro-2-methylphenyl)-2-(hex-5-ynylamino)acetamide (PubChem CID 106211851) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(hex-5-ynylamino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(hex-5-ynylamino)acetamide
PubChem CID106211851
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(hex-5-ynylamino)acetamide
SMILESC#CCCCCNCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C15H19ClN2O/c1-3-4-5-6-9-17-11-15(19)18-14-10-13(16)8-7-12(14)2/h1,7-8,10,17H,4-6,9,11H2,2H3,(H,18,19)
InChIKeyOQGNGOJPRLXJGT-UHFFFAOYSA-N
XLogP2.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(hex-5-ynylamino)-N-(2-methylphenyl)acetamide
CID 106211416
N-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide
CID 115325803
N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 43405018
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
4-chloro-3-[[2-(hex-5-ynylamino)acetyl]amino]benzoic acid
CID 106215260
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
N-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide
CID 109005960
N-(5-chloro-2-methylphenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165845
2-(hex-5-ynylamino)-N-(4-methylphenyl)acetamide
CID 106211682
N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide
CID 113268604
N-(5-chloro-2-methylphenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetamide
CID 79352093
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 115745425

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(hex-5-ynylamino)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(hex-5-ynylamino)acetamide (CID 106211851) is N-(5-chloro-2-methylphenyl)-2-(hex-5-ynylamino)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(hex-5-ynylamino)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(hex-5-ynylamino)acetamide is C#CCCCCNCC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(hex-5-ynylamino)acetamide?
The InChIKey is OQGNGOJPRLXJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-3-4-5-6-9-17-11-15(19)18-14-10-13(16)8-7-12(14)2/h1,7-8,10,17H,4-6,9,11H2,2H3,(H,18,19).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(hex-5-ynylamino)acetamide?
N-(5-chloro-2-methylphenyl)-2-(hex-5-ynylamino)acetamide has a molecular weight of 278.78 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(hex-5-ynylamino)acetamide is sourced from PubChem (CID 106211851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).