5-bromo-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide

C17H18BrNO2 — CID 744679

IUPAC5-bromo-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCC1)c1ccc(Br)o1
InChIInChI=1S/C17H18BrNO2/c18-15-9-8-14(21-15)16(20)19-12-17(10-4-5-11-17)13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-12H2,(H,19,20)
InChIKeyNDEJWVRHGZZGFX-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.28
Rot. Bonds4

About 5-bromo-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide

5-bromo-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide (PubChem CID 744679) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 5-bromo-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide
PubChem CID744679
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name5-bromo-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCC1)c1ccc(Br)o1
InChIInChI=1S/C17H18BrNO2/c18-15-9-8-14(21-15)16(20)19-12-17(10-4-5-11-17)13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-12H2,(H,19,20)
InChIKeyNDEJWVRHGZZGFX-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide (CID 744679) is 5-bromo-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide is O=C(NCC1(c2ccccc2)CCCC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide?
The InChIKey is NDEJWVRHGZZGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c18-15-9-8-14(21-15)16(20)19-12-17(10-4-5-11-17)13-6-2-1-3-7-13/h1-3,6-9H,4-5,10-12H2,(H,19,20).
What are the key properties of 5-bromo-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide?
5-bromo-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 744679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).