2-(2-chloro-4-fluorophenyl)-N-hex-5-ynylacetamide

C14H15ClFNO — CID 122146813

IUPAC2-(2-chloro-4-fluorophenyl)-N-hex-5-ynylacetamide
SMILESC#CCCCCNC(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H15ClFNO/c1-2-3-4-5-8-17-14(18)9-11-6-7-12(16)10-13(11)15/h1,6-7,10H,3-5,8-9H2,(H,17,18)
InChIKeyGABJYZWGYJZPIX-UHFFFAOYSA-N
MW267.73 g/mol
LogP2.94
Rot. Bonds6

About 2-(2-chloro-4-fluorophenyl)-N-hex-5-ynylacetamide

2-(2-chloro-4-fluorophenyl)-N-hex-5-ynylacetamide (PubChem CID 122146813) has the molecular formula C14H15ClFNO and a molecular weight of 267.73 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-hex-5-ynylacetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-hex-5-ynylacetamide
PubChem CID122146813
Molecular FormulaC14H15ClFNO
Molecular Weight267.73 g/mol
Exact Mass267.08
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-hex-5-ynylacetamide
SMILESC#CCCCCNC(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H15ClFNO/c1-2-3-4-5-8-17-14(18)9-11-6-7-12(16)10-13(11)15/h1,6-7,10H,3-5,8-9H2,(H,17,18)
InChIKeyGABJYZWGYJZPIX-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 52.94
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

2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide
CID 126773085
2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide
CID 103709115
2-(2-chloro-4-fluorophenyl)-N-[(4-chloro-2-fluorophenyl)methyl]acetamide
CID 166226023
N-hex-5-ynyl-2-(2-methylphenyl)acetamide
CID 103758083
N-[(2,4-difluorophenyl)methyl]hex-5-yn-1-amine
CID 115694209
2-chloro-N-hex-5-ynyl-5-hydroxybenzamide
CID 106209889
5-fluoro-2-methyl-N-pent-4-ynylbenzamide
CID 103708979
N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 71919055
2-(3-bromophenyl)-N-hex-5-ynylacetamide
CID 103757951
2-chloro-3-fluoro-N-hex-5-ynylbenzamide
CID 103757958
1-(3,4-dichlorophenyl)-3-hex-5-ynylurea
CID 103757513
4-amino-2-chloro-N-hex-5-ynylbenzamide
CID 106208110

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-hex-5-ynylacetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-hex-5-ynylacetamide (CID 122146813) is 2-(2-chloro-4-fluorophenyl)-N-hex-5-ynylacetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-hex-5-ynylacetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-hex-5-ynylacetamide is C#CCCCCNC(=O)Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-hex-5-ynylacetamide?
The InChIKey is GABJYZWGYJZPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO/c1-2-3-4-5-8-17-14(18)9-11-6-7-12(16)10-13(11)15/h1,6-7,10H,3-5,8-9H2,(H,17,18).
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-hex-5-ynylacetamide?
2-(2-chloro-4-fluorophenyl)-N-hex-5-ynylacetamide has a molecular weight of 267.73 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-hex-5-ynylacetamide is sourced from PubChem (CID 122146813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).