N-(2-amino-4-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide

C15H18FN3OS — CID 61439173

IUPACN-(2-amino-4-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(F)cc1N)Cc1cccs1
InChIInChI=1S/C15H18FN3OS/c1-2-19(9-12-4-3-7-21-12)10-15(20)18-14-6-5-11(16)8-13(14)17/h3-8H,2,9-10,17H2,1H3,(H,18,20)
InChIKeyJXAPDWJSQBEQFS-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.93
Rot. Bonds6

About N-(2-amino-4-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide

N-(2-amino-4-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 61439173) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID61439173
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC NameN-(2-amino-4-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(F)cc1N)Cc1cccs1
InChIInChI=1S/C15H18FN3OS/c1-2-19(9-12-4-3-7-21-12)10-15(20)18-14-6-5-11(16)8-13(14)17/h3-8H,2,9-10,17H2,1H3,(H,18,20)
InChIKeyJXAPDWJSQBEQFS-UHFFFAOYSA-N
XLogP2.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718056
N-(2,6-difluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718062
N-(3,4-difluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718034
N-(2,3-dimethylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8717968
N-(2-amino-4-fluorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63957144
N-(5-chloro-2-methoxyphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718180
2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide
CID 8718330
N-(3-chloro-2-methylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8717964
N-(2-amino-4-fluorophenyl)-2-(N-ethylanilino)acetamide
CID 16788040
2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 8800785
2-[benzyl(ethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 8541615
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 34408527

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide (CID 61439173) is N-(2-amino-4-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide is CCN(CC(=O)Nc1ccc(F)cc1N)Cc1cccs1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is JXAPDWJSQBEQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-2-19(9-12-4-3-7-21-12)10-15(20)18-14-6-5-11(16)8-13(14)17/h3-8H,2,9-10,17H2,1H3,(H,18,20).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide?
N-(2-amino-4-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 307.39 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 61439173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).