3-bromo-N-[(1-thiophen-3-ylcyclopropyl)methyl]benzamide

C15H14BrNOS — CID 146079134

IUPAC3-bromo-N-[(1-thiophen-3-ylcyclopropyl)methyl]benzamide
SMILESO=C(NCC1(c2ccsc2)CC1)c1cccc(Br)c1
InChIInChI=1S/C15H14BrNOS/c16-13-3-1-2-11(8-13)14(18)17-10-15(5-6-15)12-4-7-19-9-12/h1-4,7-9H,5-6,10H2,(H,17,18)
InChIKeyNYZJBMBEZXVLEK-UHFFFAOYSA-N
MW336.25 g/mol
LogP3.97
Rot. Bonds4

About 3-bromo-N-[(1-thiophen-3-ylcyclopropyl)methyl]benzamide

3-bromo-N-[(1-thiophen-3-ylcyclopropyl)methyl]benzamide (PubChem CID 146079134) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is 3-bromo-N-[(1-thiophen-3-ylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(1-thiophen-3-ylcyclopropyl)methyl]benzamide
PubChem CID146079134
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC Name3-bromo-N-[(1-thiophen-3-ylcyclopropyl)methyl]benzamide
SMILESO=C(NCC1(c2ccsc2)CC1)c1cccc(Br)c1
InChIInChI=1S/C15H14BrNOS/c16-13-3-1-2-11(8-13)14(18)17-10-15(5-6-15)12-4-7-19-9-12/h1-4,7-9H,5-6,10H2,(H,17,18)
InChIKeyNYZJBMBEZXVLEK-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119744824
N-[(1-thiophen-3-ylcyclopentyl)methyl]furan-3-carboxamide
CID 86263777
4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride
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N-(1-adamantylmethyl)-3-bromobenzamide
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3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
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3-bromo-N-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 18117344
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-methylsulfonylbenzamide
CID 55889890
N-[2-[[N-[[1-(3-bromophenyl)cyclopropyl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111572573
3-bromo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide
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N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3,4-diethoxybenzamide
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2-phenylmethoxy-N-[(1-thiophen-3-ylcyclopropyl)methyl]acetamide
CID 146078652

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1-thiophen-3-ylcyclopropyl)methyl]benzamide?
The IUPAC name of 3-bromo-N-[(1-thiophen-3-ylcyclopropyl)methyl]benzamide (CID 146079134) is 3-bromo-N-[(1-thiophen-3-ylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[(1-thiophen-3-ylcyclopropyl)methyl]benzamide?
The canonical SMILES for 3-bromo-N-[(1-thiophen-3-ylcyclopropyl)methyl]benzamide is O=C(NCC1(c2ccsc2)CC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(1-thiophen-3-ylcyclopropyl)methyl]benzamide?
The InChIKey is NYZJBMBEZXVLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS/c16-13-3-1-2-11(8-13)14(18)17-10-15(5-6-15)12-4-7-19-9-12/h1-4,7-9H,5-6,10H2,(H,17,18).
What are the key properties of 3-bromo-N-[(1-thiophen-3-ylcyclopropyl)methyl]benzamide?
3-bromo-N-[(1-thiophen-3-ylcyclopropyl)methyl]benzamide has a molecular weight of 336.25 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1-thiophen-3-ylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 146079134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).