N-(5-amino-2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide

C15H18FN3OS — CID 43527250

IUPACN-(5-amino-2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
SMILESCC(C(=O)Nc1cc(N)ccc1F)N(C)Cc1cccs1
InChIInChI=1S/C15H18FN3OS/c1-10(19(2)9-12-4-3-7-21-12)15(20)18-14-8-11(17)5-6-13(14)16/h3-8,10H,9,17H2,1-2H3,(H,18,20)
InChIKeyZKPLMYLRXAMJHS-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.93
Rot. Bonds5

About N-(5-amino-2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide

N-(5-amino-2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide (PubChem CID 43527250) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
PubChem CID43527250
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC NameN-(5-amino-2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
SMILESCC(C(=O)Nc1cc(N)ccc1F)N(C)Cc1cccs1
InChIInChI=1S/C15H18FN3OS/c1-10(19(2)9-12-4-3-7-21-12)15(20)18-14-8-11(17)5-6-13(14)16/h3-8,10H,9,17H2,1-2H3,(H,18,20)
InChIKeyZKPLMYLRXAMJHS-UHFFFAOYSA-N
XLogP2.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-(2-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 43527265
(2R)-N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 8516902
N-(5-amino-2-fluorophenyl)-2-[butyl(methyl)amino]propanamide
CID 18069901
N-(5-amino-2-fluorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295369
N-(5-amino-2-fluorophenyl)-2-(dipropylamino)propanamide
CID 16778555
(2S)-2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)propanamide
CID 8516996
(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 8718481
N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide
CID 61024784
(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-fluorophenyl)propanamide
CID 27072122
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 8517017
N-(5-amino-2-fluorophenyl)-2-propan-2-ylsulfinylacetamide
CID 61286626
(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517815

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide (CID 43527250) is N-(5-amino-2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide is CC(C(=O)Nc1cc(N)ccc1F)N(C)Cc1cccs1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide?
The InChIKey is ZKPLMYLRXAMJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-10(19(2)9-12-4-3-7-21-12)15(20)18-14-8-11(17)5-6-13(14)16/h3-8,10H,9,17H2,1-2H3,(H,18,20).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide?
N-(5-amino-2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide has a molecular weight of 307.39 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 43527250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).