2-amino-N-[3-(3-chlorophenyl)prop-2-ynyl]acetamide

C11H11ClN2O — CID 114777655

IUPAC2-amino-N-[3-(3-chlorophenyl)prop-2-ynyl]acetamide
SMILESNCC(=O)NCC#Cc1cccc(Cl)c1
InChIInChI=1S/C11H11ClN2O/c12-10-5-1-3-9(7-10)4-2-6-14-11(15)8-13/h1,3,5,7H,6,8,13H2,(H,14,15)
InChIKeyIPVYYYWJYOJHLY-UHFFFAOYSA-N
MW222.68 g/mol
LogP0.77
Rot. Bonds2

About 2-amino-N-[3-(3-chlorophenyl)prop-2-ynyl]acetamide

2-amino-N-[3-(3-chlorophenyl)prop-2-ynyl]acetamide (PubChem CID 114777655) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-amino-N-[3-(3-chlorophenyl)prop-2-ynyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(3-chlorophenyl)prop-2-ynyl]acetamide
PubChem CID114777655
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name2-amino-N-[3-(3-chlorophenyl)prop-2-ynyl]acetamide
SMILESNCC(=O)NCC#Cc1cccc(Cl)c1
InChIInChI=1S/C11H11ClN2O/c12-10-5-1-3-9(7-10)4-2-6-14-11(15)8-13/h1,3,5,7H,6,8,13H2,(H,14,15)
InChIKeyIPVYYYWJYOJHLY-UHFFFAOYSA-N
XLogP0.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[3-(3-chlorophenyl)prop-2-ynyl]propanamide
CID 90548377
4-bromo-N-[3-(3-chlorophenyl)prop-2-ynyl]butanamide
CID 90548493
2-amino-N-(3-phenylprop-2-ynyl)acetamide
CID 112687685
N-[3-(3-chlorophenyl)prop-2-ynyl]-2-cyclopentylacetamide
CID 90548372
ethyl 2-[3-(3-chlorophenyl)prop-2-ynylamino]-2-oxoacetate
CID 90548374
N-[3-(3-chlorophenyl)prop-2-ynyl]-4-phenylbutanamide
CID 90548466
2-amino-N-[3-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide
CID 114777744
N-[3-(3-chlorophenyl)prop-2-ynyl]-2-propylpentanamide
CID 90548362
2-bromo-N-[3-(3-chlorophenyl)prop-2-ynyl]benzamide
CID 90548408
3-bromo-N-[3-(3-chlorophenyl)prop-2-ynyl]benzamide
CID 90548409
N-[3-(3-chlorophenyl)prop-2-ynyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 90548552
1-[3-(3-chlorophenyl)prop-2-ynyl]-3-(2-fluorophenyl)urea
CID 90552840

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(3-chlorophenyl)prop-2-ynyl]acetamide?
The IUPAC name of 2-amino-N-[3-(3-chlorophenyl)prop-2-ynyl]acetamide (CID 114777655) is 2-amino-N-[3-(3-chlorophenyl)prop-2-ynyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-(3-chlorophenyl)prop-2-ynyl]acetamide?
The canonical SMILES for 2-amino-N-[3-(3-chlorophenyl)prop-2-ynyl]acetamide is NCC(=O)NCC#Cc1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-[3-(3-chlorophenyl)prop-2-ynyl]acetamide?
The InChIKey is IPVYYYWJYOJHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-10-5-1-3-9(7-10)4-2-6-14-11(15)8-13/h1,3,5,7H,6,8,13H2,(H,14,15).
What are the key properties of 2-amino-N-[3-(3-chlorophenyl)prop-2-ynyl]acetamide?
2-amino-N-[3-(3-chlorophenyl)prop-2-ynyl]acetamide has a molecular weight of 222.68 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(3-chlorophenyl)prop-2-ynyl]acetamide is sourced from PubChem (CID 114777655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).