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

C9H8ClN5O — CID 166404173

IUPAC2-chloro-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C9H8ClN5O/c10-5-8(16)11-7-3-1-6(2-4-7)9-12-14-15-13-9/h1-4H,5H2,(H,11,16)(H,12,13,14,15)
InChIKeyVYVPXHFOMDQYNT-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.04
Rot. Bonds3

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

2-chloro-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide (PubChem CID 166404173) has the molecular formula C9H8ClN5O and a molecular weight of 237.65 g/mol. Its IUPAC name is 2-chloro-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
PubChem CID166404173
Molecular FormulaC9H8ClN5O
Molecular Weight237.65 g/mol
Exact Mass237.04
IUPAC Name2-chloro-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C9H8ClN5O/c10-5-8(16)11-7-3-1-6(2-4-7)9-12-14-15-13-9/h1-4H,5H2,(H,11,16)(H,12,13,14,15)
InChIKeyVYVPXHFOMDQYNT-UHFFFAOYSA-N
XLogP1.04
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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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
N-Phenyl-N'-(4-(2H-tetrazol-5-yl)phenyl)urea
CID 23540920
2,2,3,3,4,4,4-Heptafluoro-N-[4-(1H-tetrazol-5-ylmethyl)phenyl]butanamide
CID 14253809
2,2,3,3,4,4,4-Heptafluoro-N-[4-(1H-tetrazol-5-yl)phenyl]butanamide
CID 14253819
N-[4-[(2H-Tetrazol-5-yl)methyl]phenyl]trifluoroacetamide
CID 14253820
N-[4-[(2H-Tetrazol-5-yl)methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide
CID 14253821
2,2,3,3,4,4,5,5,5-Nonafluoro-N-[4-(1H-tetrazol-5-ylmethyl)phenyl]pentanamide
CID 14253826
2,2,3,3,4,4,4-Heptafluoro-N-[4-(1H-tetrazol-5-ylethyl)phenyl]butanamide
CID 14253827
N-[2-Chloro-4-(2H-tetrazol-5-yl)-phenyl]-acetamide
CID 653346
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[4-(2H-tetrazol-5-yl)phenyl]octanamide
CID 15164324

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide (CID 166404173) is 2-chloro-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide is O=C(CCl)Nc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 2-chloro-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide?
The InChIKey is VYVPXHFOMDQYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O/c10-5-8(16)11-7-3-1-6(2-4-7)9-12-14-15-13-9/h1-4H,5H2,(H,11,16)(H,12,13,14,15).
What are the key properties of 2-chloro-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide?
2-chloro-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide has a molecular weight of 237.65 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 166404173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).