1-(4-bromophenyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide

C17H18BrNO2 — CID 2214985

IUPAC1-(4-bromophenyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
SMILESO=C(NCc1ccco1)C1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C17H18BrNO2/c18-14-7-5-13(6-8-14)17(9-1-2-10-17)16(20)19-12-15-4-3-11-21-15/h3-8,11H,1-2,9-10,12H2,(H,19,20)
InChIKeyABEPCXXQUHYGDV-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.17
Rot. Bonds4

About 1-(4-bromophenyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide

1-(4-bromophenyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 2214985) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
PubChem CID2214985
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name1-(4-bromophenyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
SMILESO=C(NCc1ccco1)C1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C17H18BrNO2/c18-14-7-5-13(6-8-14)17(9-1-2-10-17)16(20)19-12-15-4-3-11-21-15/h3-8,11H,1-2,9-10,12H2,(H,19,20)
InChIKeyABEPCXXQUHYGDV-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea
CID 108899432
N-[4-[[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide
CID 34012584
1-amino-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60866496
1-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopentane-1-carboxamide
CID 46418726
1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 20971628
1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 78845434
1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097630
N-(furan-2-ylmethyl)-2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopentyl]acetamide
CID 134025362
1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 86920161
3-[[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]methyl]-N-methylbenzamide
CID 33205066
1-(4-bromophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide
CID 115362333
1-(4-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide
CID 64865921

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide (CID 2214985) is 1-(4-bromophenyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide is O=C(NCc1ccco1)C1(c2ccc(Br)cc2)CCCC1.
What is the InChIKey of 1-(4-bromophenyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is ABEPCXXQUHYGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c18-14-7-5-13(6-8-14)17(9-1-2-10-17)16(20)19-12-15-4-3-11-21-15/h3-8,11H,1-2,9-10,12H2,(H,19,20).
What are the key properties of 1-(4-bromophenyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide?
1-(4-bromophenyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 4.17, 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-(furan-2-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 2214985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).