5-bromo-N-[1-(3-phenylpropyl)benzotriazol-5-yl]furan-2-carboxamide

C20H17BrN4O2 — CID 141419779

IUPAC5-bromo-N-[1-(3-phenylpropyl)benzotriazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)nnn2CCCc1ccccc1)c1ccc(Br)o1
InChIInChI=1S/C20H17BrN4O2/c21-19-11-10-18(27-19)20(26)22-15-8-9-17-16(13-15)23-24-25(17)12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,22,26)
InChIKeyUUDRJSOSAPLEKF-UHFFFAOYSA-N
MW425.29 g/mol
LogP4.67
Rot. Bonds6

About 5-bromo-N-[1-(3-phenylpropyl)benzotriazol-5-yl]furan-2-carboxamide

5-bromo-N-[1-(3-phenylpropyl)benzotriazol-5-yl]furan-2-carboxamide (PubChem CID 141419779) has the molecular formula C20H17BrN4O2 and a molecular weight of 425.29 g/mol. Its IUPAC name is 5-bromo-N-[1-(3-phenylpropyl)benzotriazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(3-phenylpropyl)benzotriazol-5-yl]furan-2-carboxamide
PubChem CID141419779
Molecular FormulaC20H17BrN4O2
Molecular Weight425.29 g/mol
Exact Mass424.05
IUPAC Name5-bromo-N-[1-(3-phenylpropyl)benzotriazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)nnn2CCCc1ccccc1)c1ccc(Br)o1
InChIInChI=1S/C20H17BrN4O2/c21-19-11-10-18(27-19)20(26)22-15-8-9-17-16(13-15)23-24-25(17)12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,22,26)
InChIKeyUUDRJSOSAPLEKF-UHFFFAOYSA-N
XLogP4.67
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.29
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-(4-phenylphenyl)furan-2-carboxamide
CID 6624475
5-bromo-N-(4-phenyldiazenylphenyl)furan-2-carboxamide
CID 3406026
N-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide
CID 42372295
5-bromo-N-[4-(1-methylbenzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 51135396
5-bromo-N-(2-methyl-4-phenylbutan-2-yl)furan-2-carboxamide
CID 115606453
5-bromo-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 1142575
5-bromo-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]furan-2-carboxamide
CID 91818533
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide
CID 47158335
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 1365371

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(3-phenylpropyl)benzotriazol-5-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(3-phenylpropyl)benzotriazol-5-yl]furan-2-carboxamide (CID 141419779) is 5-bromo-N-[1-(3-phenylpropyl)benzotriazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(3-phenylpropyl)benzotriazol-5-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(3-phenylpropyl)benzotriazol-5-yl]furan-2-carboxamide is O=C(Nc1ccc2c(c1)nnn2CCCc1ccccc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[1-(3-phenylpropyl)benzotriazol-5-yl]furan-2-carboxamide?
The InChIKey is UUDRJSOSAPLEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O2/c21-19-11-10-18(27-19)20(26)22-15-8-9-17-16(13-15)23-24-25(17)12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,22,26).
What are the key properties of 5-bromo-N-[1-(3-phenylpropyl)benzotriazol-5-yl]furan-2-carboxamide?
5-bromo-N-[1-(3-phenylpropyl)benzotriazol-5-yl]furan-2-carboxamide has a molecular weight of 425.29 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(3-phenylpropyl)benzotriazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 141419779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).