3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]propanamide

C14H15FN2OS — CID 61103230

IUPAC3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]propanamide
SMILESNC(=O)CCNCc1ccc(F)c(-c2cccs2)c1
InChIInChI=1S/C14H15FN2OS/c15-12-4-3-10(9-17-6-5-14(16)18)8-11(12)13-2-1-7-19-13/h1-4,7-8,17H,5-6,9H2,(H2,16,18)
InChIKeyYXDQWWATLUSEIV-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.52
Rot. Bonds6

About 3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]propanamide

3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]propanamide (PubChem CID 61103230) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]propanamide.

Molecular Properties

Compound Name3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]propanamide
PubChem CID61103230
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]propanamide
SMILESNC(=O)CCNCc1ccc(F)c(-c2cccs2)c1
InChIInChI=1S/C14H15FN2OS/c15-12-4-3-10(9-17-6-5-14(16)18)8-11(12)13-2-1-7-19-13/h1-4,7-8,17H,5-6,9H2,(H2,16,18)
InChIKeyYXDQWWATLUSEIV-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]propanamide 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

3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-N,N-dimethylpropanamide
CID 61104199
ethyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]acetate
CID 61103810
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 61104385
2-ethylsulfinyl-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine
CID 115627155
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 61058996
2-(cyclopenten-1-yl)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]ethanamine
CID 106169126
4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol
CID 61103429
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
CID 71890514
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656201
methyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-2-methylpropanoate
CID 61103428
4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline
CID 63422472
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 107648578

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]propanamide?
The IUPAC name of 3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]propanamide (CID 61103230) is 3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]propanamide.
What is the SMILES notation for 3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]propanamide?
The canonical SMILES for 3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]propanamide is NC(=O)CCNCc1ccc(F)c(-c2cccs2)c1.
What is the InChIKey of 3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]propanamide?
The InChIKey is YXDQWWATLUSEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c15-12-4-3-10(9-17-6-5-14(16)18)8-11(12)13-2-1-7-19-13/h1-4,7-8,17H,5-6,9H2,(H2,16,18).
What are the key properties of 3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]propanamide?
3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]propanamide has a molecular weight of 278.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]propanamide is sourced from PubChem (CID 61103230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).