N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)acetamide

C12H14N6O2 — CID 110500481

IUPACN-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cc2nnnn2C)c1
InChIInChI=1S/C12H14N6O2/c1-8(19)13-9-4-3-5-10(6-9)14-12(20)7-11-15-16-17-18(11)2/h3-6H,7H2,1-2H3,(H,13,19)(H,14,20)
InChIKeyPKQJMLAWIYQOAD-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.35
Rot. Bonds4

About N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)acetamide

N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)acetamide (PubChem CID 110500481) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)acetamide
PubChem CID110500481
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC NameN-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cc2nnnn2C)c1
InChIInChI=1S/C12H14N6O2/c1-8(19)13-9-4-3-5-10(6-9)14-12(20)7-11-15-16-17-18(11)2/h3-6H,7H2,1-2H3,(H,13,19)(H,14,20)
InChIKeyPKQJMLAWIYQOAD-UHFFFAOYSA-N
XLogP0.35
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500369
2-(1-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110500529
N-(4-methoxy-3-nitrophenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500427
N-(6-chloropyridazin-3-yl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500574
N-(2,5-difluorophenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500527
N-[3-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 650332
2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-phenylacetamide
CID 91945840
1-(3-chlorophenyl)-3-[(1-methyltetrazol-5-yl)methyl]urea
CID 110874649
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide
CID 30414133
N-(3-acetamidophenyl)-2-sulfanylacetamide
CID 60650093
N-(3-acetamidophenyl)-2-pyridin-2-ylacetamide
CID 110697004
2-(4-acetamidophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 33001295

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)acetamide (CID 110500481) is N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)acetamide is CC(=O)Nc1cccc(NC(=O)Cc2nnnn2C)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)acetamide?
The InChIKey is PKQJMLAWIYQOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c1-8(19)13-9-4-3-5-10(6-9)14-12(20)7-11-15-16-17-18(11)2/h3-6H,7H2,1-2H3,(H,13,19)(H,14,20).
What are the key properties of N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)acetamide?
N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)acetamide has a molecular weight of 274.28 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(1-methyltetrazol-5-yl)acetamide is sourced from PubChem (CID 110500481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).