N-[4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]phenyl]furan-2-carboxamide

C20H16N6O3 — CID 30896780

IUPACN-[4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H16N6O3/c27-19(12-14-3-9-17(10-4-14)26-13-21-24-25-26)22-15-5-7-16(8-6-15)23-20(28)18-2-1-11-29-18/h1-11,13H,12H2,(H,22,27)(H,23,28)
InChIKeyZPBKPWZRTOFOAT-UHFFFAOYSA-N
MW388.39 g/mol
LogP2.69
Rot. Bonds6

About N-[4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]phenyl]furan-2-carboxamide

N-[4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]phenyl]furan-2-carboxamide (PubChem CID 30896780) has the molecular formula C20H16N6O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is N-[4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]phenyl]furan-2-carboxamide
PubChem CID30896780
Molecular FormulaC20H16N6O3
Molecular Weight388.39 g/mol
Exact Mass388.13
IUPAC NameN-[4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H16N6O3/c27-19(12-14-3-9-17(10-4-14)26-13-21-24-25-26)22-15-5-7-16(8-6-15)23-20(28)18-2-1-11-29-18/h1-11,13H,12H2,(H,22,27)(H,23,28)
InChIKeyZPBKPWZRTOFOAT-UHFFFAOYSA-N
XLogP2.69
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-methoxy-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 4155435
2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18079837
N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 858850
N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]furan-2-carboxamide
CID 29452089
N-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 17297144
2-[4-(tetrazol-1-yl)phenyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 78863578
2-(2-chlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 8006243
2-(4-acetamidophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 33001295
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]furan-2-carboxamide
CID 46402705
3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 43167870

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]phenyl]furan-2-carboxamide (CID 30896780) is N-[4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]phenyl]furan-2-carboxamide is O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is ZPBKPWZRTOFOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O3/c27-19(12-14-3-9-17(10-4-14)26-13-21-24-25-26)22-15-5-7-16(8-6-15)23-20(28)18-2-1-11-29-18/h1-11,13H,12H2,(H,22,27)(H,23,28).
What are the key properties of N-[4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]phenyl]furan-2-carboxamide?
N-[4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 30896780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).