2-(4-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide

C11H12ClN5O — CID 60929808

IUPAC2-(4-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc(Cl)cc1)c1nn[nH]n1
InChIInChI=1S/C11H12ClN5O/c1-7(11-14-16-17-15-11)13-10(18)6-8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyPMVDMQHONYWXFP-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.27
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide

2-(4-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide (PubChem CID 60929808) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
PubChem CID60929808
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name2-(4-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc(Cl)cc1)c1nn[nH]n1
InChIInChI=1S/C11H12ClN5O/c1-7(11-14-16-17-15-11)13-10(18)6-8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyPMVDMQHONYWXFP-UHFFFAOYSA-N
XLogP1.27
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 77001396
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
2-bromo-4-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 114024530
2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60929201
3-(1,3-benzodioxol-5-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 60930540
5-bromo-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60912142
2-(4-chlorophenyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236026
3-amino-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 112575806
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60638078
N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 43297476
2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751622
5-hydroxy-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide
CID 79209401

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide (CID 60929808) is 2-(4-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide is CC(NC(=O)Cc1ccc(Cl)cc1)c1nn[nH]n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide?
The InChIKey is PMVDMQHONYWXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-7(11-14-16-17-15-11)13-10(18)6-8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,13,18)(H,14,15,16,17).
What are the key properties of 2-(4-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide?
2-(4-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide has a molecular weight of 265.70 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 60929808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).