2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide

C17H17N5O — CID 18079837

IUPAC2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(-n3cnnn3)cc2)cc1C
InChIInChI=1S/C17H17N5O/c1-12-3-4-14(9-13(12)2)10-17(23)19-15-5-7-16(8-6-15)22-11-18-20-21-22/h3-9,11H,10H2,1-2H3,(H,19,23)
InChIKeyFRMKTPZGKKBDIO-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.46
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide

2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 18079837) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID18079837
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(-n3cnnn3)cc2)cc1C
InChIInChI=1S/C17H17N5O/c1-12-3-4-14(9-13(12)2)10-17(23)19-15-5-7-16(8-6-15)22-11-18-20-21-22/h3-9,11H,10H2,1-2H3,(H,19,23)
InChIKeyFRMKTPZGKKBDIO-UHFFFAOYSA-N
XLogP2.46
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(tetrazol-1-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7930070
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 30876231
2-(4-acetamidophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 33001295
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 47025716
2-(3,4-dimethylphenyl)-N-(4-methylphenyl)acetamide
CID 2664751
N,2-bis(3,4-dimethylphenyl)acetamide
CID 2600237
2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 61261084
2-[4-(tetrazol-1-yl)phenyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 78863578
N-[4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]phenyl]furan-2-carboxamide
CID 30896780
2-(2-chlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 8006243
3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 43167870
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55633392

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide (CID 18079837) is 2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide is Cc1ccc(CC(=O)Nc2ccc(-n3cnnn3)cc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is FRMKTPZGKKBDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-12-3-4-14(9-13(12)2)10-17(23)19-15-5-7-16(8-6-15)22-11-18-20-21-22/h3-9,11H,10H2,1-2H3,(H,19,23).
What are the key properties of 2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 307.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 18079837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).