5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

C15H13BrFNO2 — CID 60666540

IUPAC5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(c1ccc(Br)o1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H13BrFNO2/c16-14-8-7-13(20-14)15(19)18(12-5-6-12)9-10-1-3-11(17)4-2-10/h1-4,7-8,12H,5-6,9H2
InChIKeyOWTZZOFXKQMVBX-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.99
Rot. Bonds4

About 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (PubChem CID 60666540) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
PubChem CID60666540
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(c1ccc(Br)o1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H13BrFNO2/c16-14-8-7-13(20-14)15(19)18(12-5-6-12)9-10-1-3-11(17)4-2-10/h1-4,7-8,12H,5-6,9H2
InChIKeyOWTZZOFXKQMVBX-UHFFFAOYSA-N
XLogP3.99
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 18133644
5-bromo-N-cyclopropyl-N-ethylfuran-2-carboxamide
CID 60729086
(2S)-3-[(5-bromofuran-2-carbonyl)-cyclopropylamino]-2-methylpropanoic acid
CID 99851755
5-bromo-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)furan-2-carboxamide
CID 110742645
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 114328092
5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide
CID 60733156
5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 60738196
5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide
CID 102862780
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide
CID 107909246
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide
CID 79988886
N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide
CID 103603514
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 107904215

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (CID 60666540) is 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is O=C(c1ccc(Br)o1)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The InChIKey is OWTZZOFXKQMVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c16-14-8-7-13(20-14)15(19)18(12-5-6-12)9-10-1-3-11(17)4-2-10/h1-4,7-8,12H,5-6,9H2.
What are the key properties of 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide has a molecular weight of 338.18 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 60666540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).