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

C12H14ClN5O — CID 47068654

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 NameN-[(3-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide
PubChem CID47068654
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC NameN-[(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
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-[(4-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide
CID 47358220
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
N-[(3-chlorophenyl)methyl]-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
CID 60563768
N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 8900692
2-(4-acetamidotriazol-1-yl)-N-[(3-chlorophenyl)methyl]acetamide
CID 112528375
1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66290374
[5-amino-5-[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]pentoxy]boronic acid;hydrochloride
CID 163282510
N-[(3-chlorophenyl)methyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8798952
ethyl 3-[(3-chlorophenyl)methylamino]-3-oxopropanoate
CID 154305485
N-[(3-chlorophenyl)methyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51244560
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
N-[(3-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9209879

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).