5-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-nitrobenzamide

C14H15ClN6O3 — CID 30295444

IUPAC5-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-nitrobenzamide
SMILESO=C(NCc1nnnn1C1CCCC1)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H15ClN6O3/c15-9-5-6-12(21(23)24)11(7-9)14(22)16-8-13-17-18-19-20(13)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,22)
InChIKeyDHIOLGGNDFIVDO-UHFFFAOYSA-N
MW350.77 g/mol
LogP2.28
Rot. Bonds5

About 5-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-nitrobenzamide

5-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-nitrobenzamide (PubChem CID 30295444) has the molecular formula C14H15ClN6O3 and a molecular weight of 350.77 g/mol. Its IUPAC name is 5-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-nitrobenzamide
PubChem CID30295444
Molecular FormulaC14H15ClN6O3
Molecular Weight350.77 g/mol
Exact Mass350.09
IUPAC Name5-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-nitrobenzamide
SMILESO=C(NCc1nnnn1C1CCCC1)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H15ClN6O3/c15-9-5-6-12(21(23)24)11(7-9)14(22)16-8-13-17-18-19-20(13)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,22)
InChIKeyDHIOLGGNDFIVDO-UHFFFAOYSA-N
XLogP2.28
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295393
3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295389
5-chloro-N-[(4-cyclohexyloxyphenyl)methyl]-2-nitrobenzamide
CID 60614896
5-chloro-2-nitro-N-(2,2,3-trimethylbutyl)benzamide
CID 102610522
5-chloro-N-ethyl-2-nitrobenzamide
CID 3463536
5-chloro-2-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 62186371
N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide
CID 30295250
5-chloro-2-nitro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793853
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-nitrobenzamide
CID 103861027
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide
CID 30295335
N-(2-aminocyclohexyl)-5-chloro-2-nitrobenzamide
CID 61037362
5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-nitrobenzamide
CID 9069339

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-nitrobenzamide?
The IUPAC name of 5-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-nitrobenzamide (CID 30295444) is 5-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-nitrobenzamide?
The canonical SMILES for 5-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-nitrobenzamide is O=C(NCc1nnnn1C1CCCC1)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-nitrobenzamide?
The InChIKey is DHIOLGGNDFIVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6O3/c15-9-5-6-12(21(23)24)11(7-9)14(22)16-8-13-17-18-19-20(13)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,22).
What are the key properties of 5-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-nitrobenzamide?
5-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-nitrobenzamide has a molecular weight of 350.77 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-nitrobenzamide is sourced from PubChem (CID 30295444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).