N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide

C13H15ClN2O — CID 71627764

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2O/c1-2-8-15-10-13(17)16-9-7-11-3-5-12(14)6-4-11/h1,3-6,15H,7-10H2,(H,16,17)
InChIKeyXVNMJSFJIVJDNU-UHFFFAOYSA-N
MW250.73 g/mol
LogP1.22
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide

N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide (PubChem CID 71627764) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide
PubChem CID71627764
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2O/c1-2-8-15-10-13(17)16-9-7-11-3-5-12(14)6-4-11/h1,3-6,15H,7-10H2,(H,16,17)
InChIKeyXVNMJSFJIVJDNU-UHFFFAOYSA-N
XLogP1.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 51.22
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

N-[2-(4-chlorophenyl)ethyl]prop-2-yn-1-amine
CID 60687940
N-[2-(4-chlorophenyl)ethyl]-2-formamidoacetamide
CID 3244484
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 78908694
N-[2-(3,5-difluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79271793
N-[2-(4-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 61260038
2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide
CID 109002824
N-[2-(4-chlorophenyl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 109002927
N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-chlorophenyl)ethylamino]acetamide
CID 109002830
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532
N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide
CID 62836136

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide (CID 71627764) is N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide?
The InChIKey is XVNMJSFJIVJDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-2-8-15-10-13(17)16-9-7-11-3-5-12(14)6-4-11/h1,3-6,15H,7-10H2,(H,16,17).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide has a molecular weight of 250.73 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 71627764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).