2-(2-chlorophenyl)-N-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]acetamide

C16H14ClN5O2 — CID 71790973

IUPAC2-(2-chlorophenyl)-N-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]acetamide
SMILESCn1nnn(-c2ccc(NC(=O)Cc3ccccc3Cl)cc2)c1=O
InChIInChI=1S/C16H14ClN5O2/c1-21-16(24)22(20-19-21)13-8-6-12(7-9-13)18-15(23)10-11-4-2-3-5-14(11)17/h2-9H,10H2,1H3,(H,18,23)
InChIKeyKWPUHUOAHUYSOP-UHFFFAOYSA-N
MW343.77 g/mol
LogP1.80
Rot. Bonds4

About 2-(2-chlorophenyl)-N-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]acetamide

2-(2-chlorophenyl)-N-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]acetamide (PubChem CID 71790973) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]acetamide
PubChem CID71790973
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name2-(2-chlorophenyl)-N-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]acetamide
SMILESCn1nnn(-c2ccc(NC(=O)Cc3ccccc3Cl)cc2)c1=O
InChIInChI=1S/C16H14ClN5O2/c1-21-16(24)22(20-19-21)13-8-6-12(7-9-13)18-15(23)10-11-4-2-3-5-14(11)17/h2-9H,10H2,1H3,(H,18,23)
InChIKeyKWPUHUOAHUYSOP-UHFFFAOYSA-N
XLogP1.80
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 8006243
1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(naphthalen-1-ylmethyl)urea
CID 71791003
2-(2-chlorophenyl)-N-(1-methyltriazol-4-yl)acetamide
CID 112535389
2-[4-[[2-(2-chlorophenyl)acetyl]amino]phenyl]acetamide
CID 39280584
2-(2-chlorophenyl)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992928
2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 38681198
2-(2-chlorophenyl)-N-(2-methylimidazo[1,2-a]pyridin-6-yl)acetamide
CID 110734848
2-(2-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 86978792
N-(3-acetamidophenyl)-2-(2-chlorophenyl)acetamide
CID 7914432
N-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide
CID 109021579
2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24535268
N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-phenylacetamide
CID 112982542

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]acetamide (CID 71790973) is 2-(2-chlorophenyl)-N-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]acetamide is Cn1nnn(-c2ccc(NC(=O)Cc3ccccc3Cl)cc2)c1=O.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]acetamide?
The InChIKey is KWPUHUOAHUYSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-21-16(24)22(20-19-21)13-8-6-12(7-9-13)18-15(23)10-11-4-2-3-5-14(11)17/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of 2-(2-chlorophenyl)-N-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]acetamide?
2-(2-chlorophenyl)-N-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]acetamide has a molecular weight of 343.77 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 71790973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).