N-[4-[2-[5-(4-chlorophenyl)tetrazol-1-yl]acetyl]phenyl]acetamide

C17H14ClN5O2 — CID 9421663

IUPACN-[4-[2-[5-(4-chlorophenyl)tetrazol-1-yl]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)Cn2nnnc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14ClN5O2/c1-11(24)19-15-8-4-12(5-9-15)16(25)10-23-17(20-21-22-23)13-2-6-14(18)7-3-13/h2-9H,10H2,1H3,(H,19,24)
InChIKeyDFOHOAJSZGTCPI-UHFFFAOYSA-N
MW355.79 g/mol
LogP2.83
Rot. Bonds5

About N-[4-[2-[5-(4-chlorophenyl)tetrazol-1-yl]acetyl]phenyl]acetamide

N-[4-[2-[5-(4-chlorophenyl)tetrazol-1-yl]acetyl]phenyl]acetamide (PubChem CID 9421663) has the molecular formula C17H14ClN5O2 and a molecular weight of 355.79 g/mol. Its IUPAC name is N-[4-[2-[5-(4-chlorophenyl)tetrazol-1-yl]acetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[5-(4-chlorophenyl)tetrazol-1-yl]acetyl]phenyl]acetamide
PubChem CID9421663
Molecular FormulaC17H14ClN5O2
Molecular Weight355.79 g/mol
Exact Mass355.08
IUPAC NameN-[4-[2-[5-(4-chlorophenyl)tetrazol-1-yl]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)Cn2nnnc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14ClN5O2/c1-11(24)19-15-8-4-12(5-9-15)16(25)10-23-17(20-21-22-23)13-2-6-14(18)7-3-13/h2-9H,10H2,1H3,(H,19,24)
InChIKeyDFOHOAJSZGTCPI-UHFFFAOYSA-N
XLogP2.83
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-[5-(4-methylphenyl)tetrazol-1-yl]acetyl]phenyl]acetamide
CID 9421405
2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-methylacetamide
CID 9421680
2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 9421568
N-[4-[1-(cyanomethyl)tetrazol-5-yl]phenyl]acetamide
CID 84759174
N-(3-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-1-yl]acetamide
CID 9421628
3-[5-(4-chlorophenyl)tetrazol-1-yl]-1-phenylpropan-1-one
CID 46890515
2-[5-(4-bromophenyl)tetrazol-1-yl]-1-(4-methoxyphenyl)ethanone
CID 9421908
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]acetamide
CID 43337926
3-[5-(4-chlorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66047456
N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]acetamide
CID 2539129
2-[5-(4-bromophenyl)tetrazol-1-yl]-1-(4-nitrophenyl)ethanone
CID 9421917
N-(4-acetamidophenyl)-2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1051804

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[5-(4-chlorophenyl)tetrazol-1-yl]acetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[5-(4-chlorophenyl)tetrazol-1-yl]acetyl]phenyl]acetamide (CID 9421663) is N-[4-[2-[5-(4-chlorophenyl)tetrazol-1-yl]acetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[5-(4-chlorophenyl)tetrazol-1-yl]acetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[5-(4-chlorophenyl)tetrazol-1-yl]acetyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)Cn2nnnc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[2-[5-(4-chlorophenyl)tetrazol-1-yl]acetyl]phenyl]acetamide?
The InChIKey is DFOHOAJSZGTCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O2/c1-11(24)19-15-8-4-12(5-9-15)16(25)10-23-17(20-21-22-23)13-2-6-14(18)7-3-13/h2-9H,10H2,1H3,(H,19,24).
What are the key properties of N-[4-[2-[5-(4-chlorophenyl)tetrazol-1-yl]acetyl]phenyl]acetamide?
N-[4-[2-[5-(4-chlorophenyl)tetrazol-1-yl]acetyl]phenyl]acetamide has a molecular weight of 355.79 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[5-(4-chlorophenyl)tetrazol-1-yl]acetyl]phenyl]acetamide is sourced from PubChem (CID 9421663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).