5-[(4-bromophenoxy)methyl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]furan-2-carboxamide

C22H18BrN5O3 — CID 55775522

IUPAC5-[(4-bromophenoxy)methyl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1ccc(COc2ccc(Br)cc2)o1
InChIInChI=1S/C22H18BrN5O3/c23-15-3-9-18(10-4-15)30-13-19-11-12-20(31-19)22(29)24-16-5-1-14(2-6-16)21-25-26-27-28(21)17-7-8-17/h1-6,9-12,17H,7-8,13H2,(H,24,29)
InChIKeyHUZXSTLPANZOHV-UHFFFAOYSA-N
MW480.32 g/mol
LogP4.86
Rot. Bonds7

About 5-[(4-bromophenoxy)methyl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]furan-2-carboxamide

5-[(4-bromophenoxy)methyl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]furan-2-carboxamide (PubChem CID 55775522) has the molecular formula C22H18BrN5O3 and a molecular weight of 480.32 g/mol. Its IUPAC name is 5-[(4-bromophenoxy)methyl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromophenoxy)methyl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]furan-2-carboxamide
PubChem CID55775522
Molecular FormulaC22H18BrN5O3
Molecular Weight480.32 g/mol
Exact Mass479.06
IUPAC Name5-[(4-bromophenoxy)methyl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1ccc(COc2ccc(Br)cc2)o1
InChIInChI=1S/C22H18BrN5O3/c23-15-3-9-18(10-4-15)30-13-19-11-12-20(31-19)22(29)24-16-5-1-14(2-6-16)21-25-26-27-28(21)17-7-8-17/h1-6,9-12,17H,7-8,13H2,(H,24,29)
InChIKeyHUZXSTLPANZOHV-UHFFFAOYSA-N
XLogP4.86
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.32
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-bromophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19413497
[4-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
CID 4748328
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 30701945
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 55848411
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
5-[(4-bromophenoxy)methyl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19337929
5-[(4-fluorophenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19413095
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 37228950
N-[3-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55871891
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19403922
N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830628
tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate
CID 65142786

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenoxy)methyl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-bromophenoxy)methyl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]furan-2-carboxamide (CID 55775522) is 5-[(4-bromophenoxy)methyl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromophenoxy)methyl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromophenoxy)methyl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1ccc(COc2ccc(Br)cc2)o1.
What is the InChIKey of 5-[(4-bromophenoxy)methyl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]furan-2-carboxamide?
The InChIKey is HUZXSTLPANZOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN5O3/c23-15-3-9-18(10-4-15)30-13-19-11-12-20(31-19)22(29)24-16-5-1-14(2-6-16)21-25-26-27-28(21)17-7-8-17/h1-6,9-12,17H,7-8,13H2,(H,24,29).
What are the key properties of 5-[(4-bromophenoxy)methyl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]furan-2-carboxamide?
5-[(4-bromophenoxy)methyl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]furan-2-carboxamide has a molecular weight of 480.32 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenoxy)methyl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 55775522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).