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

C12H14ClN5O — CID 47358220

IUPACN-[(4-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide
SMILESCCc1nnnn1CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN5O/c1-2-11-15-16-17-18(11)8-12(19)14-7-9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3,(H,14,19)
InChIKeyWXRZVKYGTJZDJU-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.21
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide (PubChem CID 47358220) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide
PubChem CID47358220
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide
SMILESCCc1nnnn1CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN5O/c1-2-11-15-16-17-18(11)8-12(19)14-7-9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3,(H,14,19)
InChIKeyWXRZVKYGTJZDJU-UHFFFAOYSA-N
XLogP1.21
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide
CID 47068654
N-[(4-chlorophenyl)methyl]-2-(12-ethyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetamide
CID 20884297
1-[(4-chlorophenyl)methyl]-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea
CID 30295905
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896530
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7659873
[5-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]-5-(pyridin-4-ylmethylamino)pentyl]boronic acid
CID 170795447
2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-methylacetamide
CID 9421680
2-[5-[(4-bromophenyl)methyl]tetrazol-1-yl]-N-prop-2-enylacetamide
CID 56790493
N-[(4-chlorophenyl)methyl]-2-(2-ethyl-9-fluoro-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-3-yl)acetamide
CID 27373767
N-[(4-chlorophenyl)methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17444690
N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465914
3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2394049

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide (CID 47358220) is N-[(4-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide is CCc1nnnn1CC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide?
The InChIKey is WXRZVKYGTJZDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-2-11-15-16-17-18(11)8-12(19)14-7-9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3,(H,14,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide?
N-[(4-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-[(4-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide is sourced from PubChem (CID 47358220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).