5-bromo-N-[2-(3,4-difluorophenyl)ethyl]furan-2-carboxamide

C13H10BrF2NO2 — CID 110795401

IUPAC5-bromo-N-[2-(3,4-difluorophenyl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1ccc(F)c(F)c1)c1ccc(Br)o1
InChIInChI=1S/C13H10BrF2NO2/c14-12-4-3-11(19-12)13(18)17-6-5-8-1-2-9(15)10(16)7-8/h1-4,7H,5-6H2,(H,17,18)
InChIKeyPTWOEJRBBXEJAB-UHFFFAOYSA-N
MW330.13 g/mol
LogP3.29
Rot. Bonds4

About 5-bromo-N-[2-(3,4-difluorophenyl)ethyl]furan-2-carboxamide

5-bromo-N-[2-(3,4-difluorophenyl)ethyl]furan-2-carboxamide (PubChem CID 110795401) has the molecular formula C13H10BrF2NO2 and a molecular weight of 330.13 g/mol. Its IUPAC name is 5-bromo-N-[2-(3,4-difluorophenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(3,4-difluorophenyl)ethyl]furan-2-carboxamide
PubChem CID110795401
Molecular FormulaC13H10BrF2NO2
Molecular Weight330.13 g/mol
Exact Mass328.99
IUPAC Name5-bromo-N-[2-(3,4-difluorophenyl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1ccc(F)c(F)c1)c1ccc(Br)o1
InChIInChI=1S/C13H10BrF2NO2/c14-12-4-3-11(19-12)13(18)17-6-5-8-1-2-9(15)10(16)7-8/h1-4,7H,5-6H2,(H,17,18)
InChIKeyPTWOEJRBBXEJAB-UHFFFAOYSA-N
XLogP3.29
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide
CID 110795131
5-bromo-N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 26560592
5-bromo-N-[2-(1H-pyrrol-3-yl)ethyl]furan-2-carboxamide
CID 110795686
5-bromo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]furan-2-carboxamide
CID 110665271
5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 110795187
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
5-bromo-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]furan-2-carboxamide
CID 16889512
N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 110788258
5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide
CID 103612091
N-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide
CID 62665925
5-bromo-N-[2-(propanoylamino)ethyl]furan-2-carboxamide
CID 108540408
5-chloro-N-[2-(3,5-difluorophenyl)ethyl]furan-2-carboxamide
CID 113228849

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3,4-difluorophenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(3,4-difluorophenyl)ethyl]furan-2-carboxamide (CID 110795401) is 5-bromo-N-[2-(3,4-difluorophenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(3,4-difluorophenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(3,4-difluorophenyl)ethyl]furan-2-carboxamide is O=C(NCCc1ccc(F)c(F)c1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(3,4-difluorophenyl)ethyl]furan-2-carboxamide?
The InChIKey is PTWOEJRBBXEJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO2/c14-12-4-3-11(19-12)13(18)17-6-5-8-1-2-9(15)10(16)7-8/h1-4,7H,5-6H2,(H,17,18).
What are the key properties of 5-bromo-N-[2-(3,4-difluorophenyl)ethyl]furan-2-carboxamide?
5-bromo-N-[2-(3,4-difluorophenyl)ethyl]furan-2-carboxamide has a molecular weight of 330.13 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3,4-difluorophenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 110795401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).