2-fluoro-5-methyl-N-(1-thiophen-2-ylbutyl)benzamide

C16H18FNOS — CID 62513846

IUPAC2-fluoro-5-methyl-N-(1-thiophen-2-ylbutyl)benzamide
SMILESCCCC(NC(=O)c1cc(C)ccc1F)c1cccs1
InChIInChI=1S/C16H18FNOS/c1-3-5-14(15-6-4-9-20-15)18-16(19)12-10-11(2)7-8-13(12)17/h4,6-10,14H,3,5H2,1-2H3,(H,18,19)
InChIKeyGXIDZMVMRNVACD-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.47
Rot. Bonds5

About 2-fluoro-5-methyl-N-(1-thiophen-2-ylbutyl)benzamide

2-fluoro-5-methyl-N-(1-thiophen-2-ylbutyl)benzamide (PubChem CID 62513846) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(1-thiophen-2-ylbutyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(1-thiophen-2-ylbutyl)benzamide
PubChem CID62513846
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC Name2-fluoro-5-methyl-N-(1-thiophen-2-ylbutyl)benzamide
SMILESCCCC(NC(=O)c1cc(C)ccc1F)c1cccs1
InChIInChI=1S/C16H18FNOS/c1-3-5-14(15-6-4-9-20-15)18-16(19)12-10-11(2)7-8-13(12)17/h4,6-10,14H,3,5H2,1-2H3,(H,18,19)
InChIKeyGXIDZMVMRNVACD-UHFFFAOYSA-N
XLogP4.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-fluoro-N-(1-thiophen-2-ylbutyl)benzamide
CID 61381188
2-fluoro-6-hydroxy-N-(1-thiophen-2-ylbutyl)benzamide
CID 104917044
3-amino-2,6-difluoro-N-(1-thiophen-2-ylbutyl)benzamide
CID 79758784
2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
2-[2-[[(1R)-1-thiophen-2-ylbutyl]carbamoyl]anilino]acetic acid
CID 95143397
4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide
CID 62173495
(2S)-2-[(2-fluoro-5-methylbenzoyl)amino]hexanoic acid
CID 107144143
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide
CID 62513013
N-(3-ethylpentan-2-yl)-2-fluoro-5-methylbenzamide
CID 55260574
N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide
CID 62511498
4-bromo-2-fluoro-N-(1-thiophen-2-ylpropyl)benzamide
CID 61072638

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(1-thiophen-2-ylbutyl)benzamide?
The IUPAC name of 2-fluoro-5-methyl-N-(1-thiophen-2-ylbutyl)benzamide (CID 62513846) is 2-fluoro-5-methyl-N-(1-thiophen-2-ylbutyl)benzamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-(1-thiophen-2-ylbutyl)benzamide?
The canonical SMILES for 2-fluoro-5-methyl-N-(1-thiophen-2-ylbutyl)benzamide is CCCC(NC(=O)c1cc(C)ccc1F)c1cccs1.
What is the InChIKey of 2-fluoro-5-methyl-N-(1-thiophen-2-ylbutyl)benzamide?
The InChIKey is GXIDZMVMRNVACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c1-3-5-14(15-6-4-9-20-15)18-16(19)12-10-11(2)7-8-13(12)17/h4,6-10,14H,3,5H2,1-2H3,(H,18,19).
What are the key properties of 2-fluoro-5-methyl-N-(1-thiophen-2-ylbutyl)benzamide?
2-fluoro-5-methyl-N-(1-thiophen-2-ylbutyl)benzamide has a molecular weight of 291.39 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(1-thiophen-2-ylbutyl)benzamide is sourced from PubChem (CID 62513846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).