N-[(3-bromothiophen-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide

C15H14BrNOS — CID 78985906

IUPACN-[(3-bromothiophen-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCc1sccc1Br)C1CC1c1ccccc1
InChIInChI=1S/C15H14BrNOS/c16-13-6-7-19-14(13)9-17-15(18)12-8-11(12)10-4-2-1-3-5-10/h1-7,11-12H,8-9H2,(H,17,18)
InChIKeyDMFRETOTBPXOJV-UHFFFAOYSA-N
MW336.25 g/mol
LogP3.93
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide

N-[(3-bromothiophen-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 78985906) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID78985906
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCc1sccc1Br)C1CC1c1ccccc1
InChIInChI=1S/C15H14BrNOS/c16-13-6-7-19-14(13)9-17-15(18)12-8-11(12)10-4-2-1-3-5-10/h1-7,11-12H,8-9H2,(H,17,18)
InChIKeyDMFRETOTBPXOJV-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115598109
N-[(3-bromothiophen-2-yl)methyl]azetidine-2-carboxamide
CID 131165790
N-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80567333
N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide
CID 115594336
N-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 78986031
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 80710988
trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 19323161
N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-2-phenylacetamide
CID 103717860
N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 86841366
cis-(1S,2R)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide
CID 40606359
3-amino-N-[(3-bromothiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119759831

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide (CID 78985906) is N-[(3-bromothiophen-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide is O=C(NCc1sccc1Br)C1CC1c1ccccc1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is DMFRETOTBPXOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS/c16-13-6-7-19-14(13)9-17-15(18)12-8-11(12)10-4-2-1-3-5-10/h1-7,11-12H,8-9H2,(H,17,18).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
N-[(3-bromothiophen-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 336.25 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 78985906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).