N-[(3-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide

Name: N-[(3-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₄ClN₅O — CID 47068654

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACN-[(3-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide

SMILESCCc1nnnn1CC(=O)NCc1cccc(Cl)c1

InChIInChI=1S/C12H14ClN5O/c1-2-11-15-16-17-18(11)8-12(19)14-7-9-4-3-5-10(13)6-9/h3-6H,2,7-8H2,1H3,(H,14,19)

InChIKeyXFVMSCLPGXOWKI-UHFFFAOYSA-N

MW279.73 g/mol

LogP1.21

Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide

N-[(3-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide (PubChem CID 47068654) has the molecular formula C₁₂H₁₄ClN₅O and a molecular weight of 279.73 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide.

Molecular Properties

Compound Name	N-[(3-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide
PubChem CID	47068654
Molecular Formula	C₁₂H₁₄ClN₅O
Molecular Weight	279.73 g/mol
Exact Mass	279.09
IUPAC Name	N-[(3-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide
SMILES	CCc1nnnn1CC(=O)NCc1cccc(Cl)c1
InChI	InChI=1S/C12H14ClN5O/c1-2-11-15-16-17-18(11)8-12(19)14-7-9-4-3-5-10(13)6-9/h3-6H,2,7-8H2,1H3,(H,14,19)
InChIKey	XFVMSCLPGXOWKI-UHFFFAOYSA-N
XLogP	1.21
TPSA	72.70 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	279.73
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide?

The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide (CID 47068654) is N-[(3-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide.

What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide?

The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide is CCc1nnnn1CC(=O)NCc1cccc(Cl)c1.

What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide?

The InChIKey is XFVMSCLPGXOWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-2-11-15-16-17-18(11)8-12(19)14-7-9-4-3-5-10(13)6-9/h3-6H,2,7-8H2,1H3,(H,14,19).

What are the key properties of N-[(3-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide?

N-[(3-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide has a molecular weight of 279.73 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide is sourced from PubChem (CID 47068654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 47068654 — identifiers, structure, computed properties (public domain)

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