N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylcyclopropane-1-carboxamide

C16H16BrNO2 — CID 24588410

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C16H16BrNO2/c1-10-8-14(10)16(19)18-9-13-6-7-15(20-13)11-2-4-12(17)5-3-11/h2-7,10,14H,8-9H2,1H3,(H,18,19)
InChIKeyQLOWOWJBEXCEBR-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.98
Rot. Bonds4

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylcyclopropane-1-carboxamide

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 24588410) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylcyclopropane-1-carboxamide
PubChem CID24588410
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C16H16BrNO2/c1-10-8-14(10)16(19)18-9-13-6-7-15(20-13)11-2-4-12(17)5-3-11/h2-7,10,14H,8-9H2,1H3,(H,18,19)
InChIKeyQLOWOWJBEXCEBR-UHFFFAOYSA-N
XLogP3.98
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(4-bromophenyl)furan-2-yl]methyl]oxolane-2-carboxamide
CID 24646075
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide
CID 47140638
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide
CID 46683025
5-[[[2-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
CID 119246233
5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide
CID 17335172
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 24588403
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]cyclopropanecarboxamide
CID 36895021
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide
CID 9204124
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2,2-diphenylacetamide
CID 17335196
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide
CID 9204101
(2S)-N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
CID 24588390
1-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]urea
CID 71940753

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylcyclopropane-1-carboxamide (CID 24588410) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NCc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is QLOWOWJBEXCEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-10-8-14(10)16(19)18-9-13-6-7-15(20-13)11-2-4-12(17)5-3-11/h2-7,10,14H,8-9H2,1H3,(H,18,19).
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylcyclopropane-1-carboxamide?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 334.21 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 24588410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).