5-bromo-N-[2-chloro-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide

C12H7BrClN5O2 — CID 45494499

IUPAC5-bromo-N-[2-chloro-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(-n2cnnn2)ccc1Cl)c1ccc(Br)o1
InChIInChI=1S/C12H7BrClN5O2/c13-11-4-3-10(21-11)12(20)16-9-5-7(1-2-8(9)14)19-6-15-17-18-19/h1-6H,(H,16,20)
InChIKeyHENMKFBGUGHBGR-UHFFFAOYSA-N
MW368.58 g/mol
LogP2.92
Rot. Bonds3

About 5-bromo-N-[2-chloro-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide

5-bromo-N-[2-chloro-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide (PubChem CID 45494499) has the molecular formula C12H7BrClN5O2 and a molecular weight of 368.58 g/mol. Its IUPAC name is 5-bromo-N-[2-chloro-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-chloro-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide
PubChem CID45494499
Molecular FormulaC12H7BrClN5O2
Molecular Weight368.58 g/mol
Exact Mass366.95
IUPAC Name5-bromo-N-[2-chloro-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(-n2cnnn2)ccc1Cl)c1ccc(Br)o1
InChIInChI=1S/C12H7BrClN5O2/c13-11-4-3-10(21-11)12(20)16-9-5-7(1-2-8(9)14)19-6-15-17-18-19/h1-6H,(H,16,20)
InChIKeyHENMKFBGUGHBGR-UHFFFAOYSA-N
XLogP2.92
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.58
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-chloro-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-chloro-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide (CID 45494499) is 5-bromo-N-[2-chloro-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-chloro-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-chloro-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide is O=C(Nc1cc(-n2cnnn2)ccc1Cl)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-chloro-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is HENMKFBGUGHBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN5O2/c13-11-4-3-10(21-11)12(20)16-9-5-7(1-2-8(9)14)19-6-15-17-18-19/h1-6H,(H,16,20).
What are the key properties of 5-bromo-N-[2-chloro-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide?
5-bromo-N-[2-chloro-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 368.58 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-chloro-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 45494499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).