N-[(4-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide

C15H15BrFNO2S — CID 47042167

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C15H15BrFNO2S/c1-10(20-13-5-3-12(17)4-6-13)15(19)18(2)8-14-7-11(16)9-21-14/h3-7,9-10H,8H2,1-2H3
InChIKeyVQPHEKPFBDZWNL-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.08
Rot. Bonds5

About N-[(4-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide

N-[(4-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide (PubChem CID 47042167) has the molecular formula C15H15BrFNO2S and a molecular weight of 372.26 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide
PubChem CID47042167
Molecular FormulaC15H15BrFNO2S
Molecular Weight372.26 g/mol
Exact Mass371.00
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)N(C)Cc1cc(Br)cs1
InChIInChI=1S/C15H15BrFNO2S/c1-10(20-13-5-3-12(17)4-6-13)15(19)18(2)8-14-7-11(16)9-21-14/h3-7,9-10H,8H2,1-2H3
InChIKeyVQPHEKPFBDZWNL-UHFFFAOYSA-N
XLogP4.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 42560933
N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide
CID 78770345
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 62670361
4-[(4-bromothiophen-2-yl)methyl-methylamino]-3-methyl-4-oxobutanoic acid
CID 115164633
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide
CID 31147863
5-[[2-(4-fluorophenoxy)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221714
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-phenoxypropanamide
CID 55580788
(2S)-2-(4-fluorophenoxy)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 51599869
3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylpropanamide
CID 106112087
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-2-iodo-N-methylbenzamide
CID 47222468
4-[2-(4-bromophenoxy)propanoyl-methylamino]butanoic acid
CID 43240368
(2S)-2-(4-bromophenoxy)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpropanamide
CID 52513292

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide (CID 47042167) is N-[(4-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide is CC(Oc1ccc(F)cc1)C(=O)N(C)Cc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide?
The InChIKey is VQPHEKPFBDZWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2S/c1-10(20-13-5-3-12(17)4-6-13)15(19)18(2)8-14-7-11(16)9-21-14/h3-7,9-10H,8H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide?
N-[(4-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide has a molecular weight of 372.26 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide is sourced from PubChem (CID 47042167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).