2-amino-N-[3-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide

C11H10ClFN2O — CID 114777744

IUPAC2-amino-N-[3-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide
SMILESNCC(=O)NCC#Cc1ccc(Cl)cc1F
InChIInChI=1S/C11H10ClFN2O/c12-9-4-3-8(10(13)6-9)2-1-5-15-11(16)7-14/h3-4,6H,5,7,14H2,(H,15,16)
InChIKeyHRHFLSYVIOLHOD-UHFFFAOYSA-N
MW240.66 g/mol
LogP0.91
Rot. Bonds2

About 2-amino-N-[3-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide

2-amino-N-[3-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide (PubChem CID 114777744) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is 2-amino-N-[3-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide
PubChem CID114777744
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC Name2-amino-N-[3-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide
SMILESNCC(=O)NCC#Cc1ccc(Cl)cc1F
InChIInChI=1S/C11H10ClFN2O/c12-9-4-3-8(10(13)6-9)2-1-5-15-11(16)7-14/h3-4,6H,5,7,14H2,(H,15,16)
InChIKeyHRHFLSYVIOLHOD-UHFFFAOYSA-N
XLogP0.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-N-[3-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[3-(3-chlorophenyl)prop-2-ynyl]acetamide
CID 114777655
2-amino-N-[3-(3-fluoro-4-methoxyphenyl)prop-2-ynyl]acetamide
CID 114777679
2-amino-N-(3-phenylprop-2-ynyl)acetamide
CID 112687685
2-amino-N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-ynyl]acetamide
CID 114939411
2-amino-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 114777631
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methoxyacetamide
CID 90547821
2-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide
CID 90547905
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methoxyacetamide
CID 65432741
3-chloro-N-[3-(3-chlorophenyl)prop-2-ynyl]propanamide
CID 90548377
2-(4-chloro-2-fluorophenyl)ethynyl-trimethyl-λ4-sulfane
CID 134443610
N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-2-methylsulfanylacetamide
CID 81270273
2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide
CID 51325787

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide?
The IUPAC name of 2-amino-N-[3-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide (CID 114777744) is 2-amino-N-[3-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide?
The canonical SMILES for 2-amino-N-[3-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide is NCC(=O)NCC#Cc1ccc(Cl)cc1F.
What is the InChIKey of 2-amino-N-[3-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide?
The InChIKey is HRHFLSYVIOLHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c12-9-4-3-8(10(13)6-9)2-1-5-15-11(16)7-14/h3-4,6H,5,7,14H2,(H,15,16).
What are the key properties of 2-amino-N-[3-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide?
2-amino-N-[3-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide has a molecular weight of 240.66 g/mol, XLogP of 0.91, 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-(4-chloro-2-fluorophenyl)prop-2-ynyl]acetamide is sourced from PubChem (CID 114777744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).