N-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]acetamide

C9H8ClN5O — CID 653346

IUPACN-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl
InChIInChI=1S/C9H8ClN5O/c1-5(16)11-8-3-2-6(4-7(8)10)9-12-14-15-13-9/h2-4H,1H3,(H,11,16)(H,12,13,14,15)
InChIKeyPTMACAYENLPBIL-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.48
Rot. Bonds2

About N-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]acetamide

N-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]acetamide (PubChem CID 653346) has the molecular formula C9H8ClN5O and a molecular weight of 237.65 g/mol. Its IUPAC name is N-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]acetamide
PubChem CID653346
Molecular FormulaC9H8ClN5O
Molecular Weight237.65 g/mol
Exact Mass237.04
IUPAC NameN-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl
InChIInChI=1S/C9H8ClN5O/c1-5(16)11-8-3-2-6(4-7(8)10)9-12-14-15-13-9/h2-4H,1H3,(H,11,16)(H,12,13,14,15)
InChIKeyPTMACAYENLPBIL-UHFFFAOYSA-N
XLogP1.48
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-(2H-Tetrazol-5-yl)phenyl)acetamide
CID 3055901
N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 890652
N-[2-(2H-Tetrazol-5-yl)phenyl]acetamide
CID 4440906
2-chloro-4-(1H-tetrazol-5-yl)phenylamine
CID 21883877
3-chloro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
CID 6465693
2-chloro-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 166404173
N-(2-chlorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 2904565
N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-sulfanylpropanamide
CID 177681543
2-[5-(4-acetamido-3-chlorophenyl)tetrazol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1444179
N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499380
N-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 153836417
N-(2-chlorophenyl)-2-[5-(2-chlorophenyl)-2H-tetrazol-2-yl]acetamide
CID 2295012

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]acetamide (CID 653346) is N-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]acetamide?
The InChIKey is PTMACAYENLPBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O/c1-5(16)11-8-3-2-6(4-7(8)10)9-12-14-15-13-9/h2-4H,1H3,(H,11,16)(H,12,13,14,15).
What are the key properties of N-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]acetamide?
N-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]acetamide has a molecular weight of 237.65 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(2H-tetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 653346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).