N-[furan-2-yl(phenyl)methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide

C21H19N5O2 — CID 131931060

IUPACN-[furan-2-yl(phenyl)methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
SMILESCc1nnnn1-c1ccc(CC(=O)NC(c2ccccc2)c2ccco2)cc1
InChIInChI=1S/C21H19N5O2/c1-15-23-24-25-26(15)18-11-9-16(10-12-18)14-20(27)22-21(19-8-5-13-28-19)17-6-3-2-4-7-17/h2-13,21H,14H2,1H3,(H,22,27)
InChIKeyHPPJXPSSLUAEEF-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.01
Rot. Bonds6

About N-[furan-2-yl(phenyl)methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide

N-[furan-2-yl(phenyl)methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide (PubChem CID 131931060) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
PubChem CID131931060
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-[furan-2-yl(phenyl)methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
SMILESCc1nnnn1-c1ccc(CC(=O)NC(c2ccccc2)c2ccco2)cc1
InChIInChI=1S/C21H19N5O2/c1-15-23-24-25-26(15)18-11-9-16(10-12-18)14-20(27)22-21(19-8-5-13-28-19)17-6-3-2-4-7-17/h2-13,21H,14H2,1H3,(H,22,27)
InChIKeyHPPJXPSSLUAEEF-UHFFFAOYSA-N
XLogP3.01
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(R)-(3-methoxyphenyl)-phenylmethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 51587763
N-[furan-2-yl(phenyl)methyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 131898891
2-(3,4-dichlorophenyl)-N-[(R)-furan-2-yl(phenyl)methyl]acetamide
CID 8928200
N-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide
CID 60661858
N-[furan-2-yl(phenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 51217838
N-[furan-2-yl(phenyl)methyl]-2-methoxyacetamide
CID 47140612
N-[furan-2-yl(phenyl)methyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 51202325
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 46969041
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(S)-furan-2-yl(phenyl)methyl]acetamide
CID 95119426
[furan-2-yl(phenyl)methyl]urea
CID 14906081
3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide
CID 60780331
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 74241272

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide (CID 131931060) is N-[furan-2-yl(phenyl)methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide is Cc1nnnn1-c1ccc(CC(=O)NC(c2ccccc2)c2ccco2)cc1.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide?
The InChIKey is HPPJXPSSLUAEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-15-23-24-25-26(15)18-11-9-16(10-12-18)14-20(27)22-21(19-8-5-13-28-19)17-6-3-2-4-7-17/h2-13,21H,14H2,1H3,(H,22,27).
What are the key properties of N-[furan-2-yl(phenyl)methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide?
N-[furan-2-yl(phenyl)methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide has a molecular weight of 373.42 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(phenyl)methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 131931060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).