N-(2-chloro-4-fluorophenyl)-2-(prop-2-ynylamino)acetamide

C11H10ClFN2O — CID 78908681

IUPACN-(2-chloro-4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C11H10ClFN2O/c1-2-5-14-7-11(16)15-10-4-3-8(13)6-9(10)12/h1,3-4,6,14H,5,7H2,(H,15,16)
InChIKeyVJZUAEIEWVFSDX-UHFFFAOYSA-N
MW240.66 g/mol
LogP1.64
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-2-(prop-2-ynylamino)acetamide

N-(2-chloro-4-fluorophenyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 78908681) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
PubChem CID78908681
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C11H10ClFN2O/c1-2-5-14-7-11(16)15-10-4-3-8(13)6-9(10)12/h1,3-4,6,14H,5,7H2,(H,15,16)
InChIKeyVJZUAEIEWVFSDX-UHFFFAOYSA-N
XLogP1.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 51.64
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'}

Analyze N-(2-chloro-4-fluorophenyl)-2-(prop-2-ynylamino)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

N-(4-fluoro-2-iodophenyl)-2-(prop-2-ynylamino)acetamide
CID 79767023
N-(4-bromo-2-chlorophenyl)-2-(prop-2-ynylamino)acetamide
CID 112722691
3-chloro-4-[[2-(prop-2-ynylamino)acetyl]amino]benzoic acid
CID 79271626
N-(2-chloro-4-nitrophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908576
N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 28563124
N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylanilino)acetamide
CID 51253129
(2S)-2-[[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 83195208
N-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079599
N-(6-chloro-1,3-benzodioxol-5-yl)-2-(prop-2-ynylamino)acetamide
CID 112722706
N-[3-chloro-4-(methanesulfonamido)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79287467
2-(4-acetylanilino)-N-(2-chloro-4-fluorophenyl)acetamide
CID 26416052
4-chloro-2-[[2-(prop-2-ynylamino)acetyl]amino]benzoic acid
CID 79287048

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(prop-2-ynylamino)acetamide (CID 78908681) is N-(2-chloro-4-fluorophenyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is VJZUAEIEWVFSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-2-5-14-7-11(16)15-10-4-3-8(13)6-9(10)12/h1,3-4,6,14H,5,7H2,(H,15,16).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(prop-2-ynylamino)acetamide?
N-(2-chloro-4-fluorophenyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 240.66 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 78908681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).