1-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropane-1-carboxamide

C17H18BrNO2 — CID 86950361

IUPAC1-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1cc(CNC(=O)C2(c3ccc(Br)cc3)CC2)c(C)o1
InChIInChI=1S/C17H18BrNO2/c1-11-9-13(12(2)21-11)10-19-16(20)17(7-8-17)14-3-5-15(18)6-4-14/h3-6,9H,7-8,10H2,1-2H3,(H,19,20)
InChIKeyKLTRJBWALMDOQC-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.01
Rot. Bonds4

About 1-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropane-1-carboxamide

1-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 86950361) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropane-1-carboxamide
PubChem CID86950361
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name1-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1cc(CNC(=O)C2(c3ccc(Br)cc3)CC2)c(C)o1
InChIInChI=1S/C17H18BrNO2/c1-11-9-13(12(2)21-11)10-19-16(20)17(7-8-17)14-3-5-15(18)6-4-14/h3-6,9H,7-8,10H2,1-2H3,(H,19,20)
InChIKeyKLTRJBWALMDOQC-UHFFFAOYSA-N
XLogP4.01
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylpropanamide
CID 86950563
1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 56817614
1-(4-bromophenyl)-N-prop-2-ynylcyclopropane-1-carboxamide
CID 36526398
2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid
CID 119226970
1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide
CID 115612940
1-(4-bromophenyl)-N-(1H-pyrrol-3-ylmethyl)cyclopropane-1-carboxamide
CID 106385541
1-(4-bromophenyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 2214985
N-[(2,5-dimethylfuran-3-yl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111538738
3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66173367
1-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopentane-1-carboxamide
CID 46418726
1-(4-bromophenyl)-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 33281737
N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropanecarboxamide
CID 90536003

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropane-1-carboxamide (CID 86950361) is 1-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropane-1-carboxamide is Cc1cc(CNC(=O)C2(c3ccc(Br)cc3)CC2)c(C)o1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is KLTRJBWALMDOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-11-9-13(12(2)21-11)10-19-16(20)17(7-8-17)14-3-5-15(18)6-4-14/h3-6,9H,7-8,10H2,1-2H3,(H,19,20).
What are the key properties of 1-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 86950361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).