2-amino-N-ethyl-3-fluoro-N-(thiophen-2-ylmethyl)benzamide

C14H15FN2OS — CID 62660536

IUPAC2-amino-N-ethyl-3-fluoro-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1cccc(F)c1N
InChIInChI=1S/C14H15FN2OS/c1-2-17(9-10-5-4-8-19-10)14(18)11-6-3-7-12(15)13(11)16/h3-8H,2,9,16H2,1H3
InChIKeyTWRJZXUQVKGWAS-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.13
Rot. Bonds4

About 2-amino-N-ethyl-3-fluoro-N-(thiophen-2-ylmethyl)benzamide

2-amino-N-ethyl-3-fluoro-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 62660536) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-amino-N-ethyl-3-fluoro-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-ethyl-3-fluoro-N-(thiophen-2-ylmethyl)benzamide
PubChem CID62660536
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name2-amino-N-ethyl-3-fluoro-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1cccc(F)c1N
InChIInChI=1S/C14H15FN2OS/c1-2-17(9-10-5-4-8-19-10)14(18)11-6-3-7-12(15)13(11)16/h3-8H,2,9,16H2,1H3
InChIKeyTWRJZXUQVKGWAS-UHFFFAOYSA-N
XLogP3.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 107358620
N-ethyl-2-fluoro-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79770274
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 60940215
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 106686239
4-chloro-N-ethyl-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 60655635
4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917
2-amino-N-ethyl-3-fluoro-N-(2-phenylethyl)benzamide
CID 81499615
N-ethyl-2,4-dihydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 103602482
N-ethyl-N-(thiophen-2-ylmethyl)-1H-indazole-7-carboxamide
CID 33033043
N-ethyl-5-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 134014500
N-ethyl-2-hydroxy-5-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 60655389

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-3-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-amino-N-ethyl-3-fluoro-N-(thiophen-2-ylmethyl)benzamide (CID 62660536) is 2-amino-N-ethyl-3-fluoro-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-N-ethyl-3-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-amino-N-ethyl-3-fluoro-N-(thiophen-2-ylmethyl)benzamide is CCN(Cc1cccs1)C(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-N-ethyl-3-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is TWRJZXUQVKGWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-2-17(9-10-5-4-8-19-10)14(18)11-6-3-7-12(15)13(11)16/h3-8H,2,9,16H2,1H3.
What are the key properties of 2-amino-N-ethyl-3-fluoro-N-(thiophen-2-ylmethyl)benzamide?
2-amino-N-ethyl-3-fluoro-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 278.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-3-fluoro-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 62660536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).