4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide

C13H13FN2OS — CID 81408321

IUPAC4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(N)c(F)c1)c1cccs1
InChIInChI=1S/C13H13FN2OS/c1-8(12-3-2-6-18-12)16-13(17)9-4-5-11(15)10(14)7-9/h2-8H,15H2,1H3,(H,16,17)/t8-/m1/s1
InChIKeyRRSAXMPSGTZHDI-MRVPVSSYSA-N
MW264.32 g/mol
LogP2.96
Rot. Bonds3

About 4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide

4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide (PubChem CID 81408321) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
PubChem CID81408321
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(N)c(F)c1)c1cccs1
InChIInChI=1S/C13H13FN2OS/c1-8(12-3-2-6-18-12)16-13(17)9-4-5-11(15)10(14)7-9/h2-8H,15H2,1H3,(H,16,17)/t8-/m1/s1
InChIKeyRRSAXMPSGTZHDI-MRVPVSSYSA-N
XLogP2.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 81408416
3,5-difluoro-4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide
CID 63186296
4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 55251408
3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 7742328
4-(ethylamino)-3,5-difluoro-N-(1-thiophen-2-ylethyl)benzamide
CID 63185485
4-fluoro-3-nitro-N-(1-thiophen-2-ylethyl)benzamide
CID 43399300
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 61093835
3-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]benzoic acid
CID 51704015
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide
CID 62680240
4-amino-3-fluoro-N-[(1S)-1-(3-methylphenyl)ethyl]benzamide
CID 81360739

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
The IUPAC name of 4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide (CID 81408321) is 4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide is C[C@@H](NC(=O)c1ccc(N)c(F)c1)c1cccs1.
What is the InChIKey of 4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
The InChIKey is RRSAXMPSGTZHDI-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-8(12-3-2-6-18-12)16-13(17)9-4-5-11(15)10(14)7-9/h2-8H,15H2,1H3,(H,16,17)/t8-/m1/s1.
What are the key properties of 4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide?
4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide has a molecular weight of 264.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 81408321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).