2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide

C13H13Cl2NO — CID 103709115

IUPAC2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide
SMILESC#CCCCNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2NO/c1-2-3-4-7-16-13(17)9-10-5-6-11(14)12(15)8-10/h1,5-6,8H,3-4,7,9H2,(H,16,17)
InChIKeyRCUMKZQDBCJEON-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.07
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide

2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide (PubChem CID 103709115) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide
PubChem CID103709115
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC Name2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide
SMILESC#CCCCNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2NO/c1-2-3-4-7-16-13(17)9-10-5-6-11(14)12(15)8-10/h1,5-6,8H,3-4,7,9H2,(H,16,17)
InChIKeyRCUMKZQDBCJEON-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-cyanopropyl)-2-(3,4-dichlorophenyl)acetamide
CID 63047177
N-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide
CID 63047188
N-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride
CID 119407523
2-naphthalen-2-yl-N-pent-4-ynylacetamide
CID 103709060
2-(3,4-dichlorophenyl)-N-[3-(ethylamino)propyl]acetamide
CID 55146750
2-(4-aminophenyl)-N-hex-5-ynylacetamide
CID 106208123
2-(2-chloro-4-fluorophenyl)-N-hex-5-ynylacetamide
CID 122146813
2-(3-bromophenyl)-N-hex-5-ynylacetamide
CID 103757951
1-(3,4-dichlorophenyl)-3-hex-5-ynylurea
CID 103757513
N-[(3,4-dichlorophenyl)methyl]hex-5-yn-1-amine
CID 115694162
2,4-dichloro-N-pent-4-ynylbenzamide
CID 103709106
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide (CID 103709115) is 2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide is C#CCCCNC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide?
The InChIKey is RCUMKZQDBCJEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO/c1-2-3-4-7-16-13(17)9-10-5-6-11(14)12(15)8-10/h1,5-6,8H,3-4,7,9H2,(H,16,17).
What are the key properties of 2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide?
2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide has a molecular weight of 270.16 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide is sourced from PubChem (CID 103709115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).