2-amino-5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide

C14H15FN2OS — CID 61471804

IUPAC2-amino-5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2cc(F)ccc2N)s1
InChIInChI=1S/C14H15FN2OS/c1-8-3-6-13(19-8)9(2)17-14(18)11-7-10(15)4-5-12(11)16/h3-7,9H,16H2,1-2H3,(H,17,18)
InChIKeyDXAHZKCUCQIZGQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.27
Rot. Bonds3

About 2-amino-5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide

2-amino-5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide (PubChem CID 61471804) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
PubChem CID61471804
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name2-amino-5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2cc(F)ccc2N)s1
InChIInChI=1S/C14H15FN2OS/c1-8-3-6-13(19-8)9(2)17-14(18)11-7-10(15)4-5-12(11)16/h3-7,9H,16H2,1-2H3,(H,17,18)
InChIKeyDXAHZKCUCQIZGQ-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide 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

5-amino-2-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 61471686
4-amino-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide
CID 81240985
3-amino-5-fluoro-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 61471765
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide
CID 81354408
2-amino-5-fluoro-N-(1-thiophen-3-ylethyl)benzamide
CID 55122299
4-amino-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitrobenzamide
CID 61355560
2-amino-N-[(1S)-1-cyclopentylethyl]-5-fluorobenzamide
CID 81388369
2-chloro-5-hydroxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 106501543
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
2-hydroxy-5-iodo-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 107731673
4-bromo-2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 78987774
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluoro-2-nitrobenzamide
CID 61041246

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The IUPAC name of 2-amino-5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide (CID 61471804) is 2-amino-5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2cc(F)ccc2N)s1.
What is the InChIKey of 2-amino-5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The InChIKey is DXAHZKCUCQIZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-8-3-6-13(19-8)9(2)17-14(18)11-7-10(15)4-5-12(11)16/h3-7,9H,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
2-amino-5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide has a molecular weight of 278.35 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 61471804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).