N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide

C13H11N5O2 — CID 858850

IUPACN-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)ccc1-n1cnnn1
InChIInChI=1S/C13H11N5O2/c1-9-7-10(15-13(19)12-3-2-6-20-12)4-5-11(9)18-8-14-16-17-18/h2-8H,1H3,(H,15,19)
InChIKeyZGJDAPJZYVBINA-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.82
Rot. Bonds3

About N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide

N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide (PubChem CID 858850) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide
PubChem CID858850
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC NameN-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)ccc1-n1cnnn1
InChIInChI=1S/C13H11N5O2/c1-9-7-10(15-13(19)12-3-2-6-20-12)4-5-11(9)18-8-14-16-17-18/h2-8H,1H3,(H,15,19)
InChIKeyZGJDAPJZYVBINA-UHFFFAOYSA-N
XLogP1.82
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4,5-trimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-3-carboxamide
CID 36723061
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 4155435
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
N-[4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]phenyl]furan-2-carboxamide
CID 30896780
N-[3-methyl-4-(tetrazol-1-yl)phenyl]but-2-enamide
CID 112725296
N-[3-methyl-4-(tetrazol-1-yl)phenyl]quinoxaline-5-carboxamide
CID 43816610
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 46570125
2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 62847424
(E)-4-[3-methyl-4-(tetrazol-1-yl)anilino]-4-oxobut-2-enoic acid
CID 60940580
N-[4-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55457161
3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide
CID 46569736

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide (CID 858850) is N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)ccc1-n1cnnn1.
What is the InChIKey of N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is ZGJDAPJZYVBINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-9-7-10(15-13(19)12-3-2-6-20-12)4-5-11(9)18-8-14-16-17-18/h2-8H,1H3,(H,15,19).
What are the key properties of N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide?
N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 858850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).