N-(3-chlorophenyl)-2-(pent-3-ynylamino)acetamide

C13H15ClN2O — CID 116643821

IUPACN-(3-chlorophenyl)-2-(pent-3-ynylamino)acetamide
SMILESCC#CCCNCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O/c1-2-3-4-8-15-10-13(17)16-12-7-5-6-11(14)9-12/h5-7,9,15H,4,8,10H2,1H3,(H,16,17)
InChIKeyYRTRRXDTNIFKBG-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.28
Rot. Bonds5

About N-(3-chlorophenyl)-2-(pent-3-ynylamino)acetamide

N-(3-chlorophenyl)-2-(pent-3-ynylamino)acetamide (PubChem CID 116643821) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(pent-3-ynylamino)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(pent-3-ynylamino)acetamide
PubChem CID116643821
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC NameN-(3-chlorophenyl)-2-(pent-3-ynylamino)acetamide
SMILESCC#CCCNCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O/c1-2-3-4-8-15-10-13(17)16-12-7-5-6-11(14)9-12/h5-7,9,15H,4,8,10H2,1H3,(H,16,17)
InChIKeyYRTRRXDTNIFKBG-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.28
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-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
N-(3-chlorophenyl)-2-(octylamino)acetamide
CID 78914396
N-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61168620
N-(3-chlorophenyl)-2-(5-hydroxypentylamino)acetamide
CID 103820250
N-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 28583672
2-[2-(3-chlorophenyl)ethylamino]-N-(3,4-dimethylphenyl)acetamide
CID 109006709
N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propylamino]acetamide
CID 103820258
N-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 55023239
N-(3-chlorophenyl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide
CID 106428862
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide
CID 109006756
N-(3-methylphenyl)hex-4-ynamide
CID 71177408

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(pent-3-ynylamino)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(pent-3-ynylamino)acetamide (CID 116643821) is N-(3-chlorophenyl)-2-(pent-3-ynylamino)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(pent-3-ynylamino)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(pent-3-ynylamino)acetamide is CC#CCCNCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(pent-3-ynylamino)acetamide?
The InChIKey is YRTRRXDTNIFKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-2-3-4-8-15-10-13(17)16-12-7-5-6-11(14)9-12/h5-7,9,15H,4,8,10H2,1H3,(H,16,17).
What are the key properties of N-(3-chlorophenyl)-2-(pent-3-ynylamino)acetamide?
N-(3-chlorophenyl)-2-(pent-3-ynylamino)acetamide has a molecular weight of 250.73 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(pent-3-ynylamino)acetamide is sourced from PubChem (CID 116643821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).