3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide

C14H16ClN5O — CID 30295389

IUPAC3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
SMILESO=C(NCc1nnnn1C1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H16ClN5O/c15-11-5-3-4-10(8-11)14(21)16-9-13-17-18-19-20(13)12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2,(H,16,21)
InChIKeyDBLFNNYEEUMUTK-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.37
Rot. Bonds4

About 3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide

3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide (PubChem CID 30295389) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
PubChem CID30295389
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
SMILESO=C(NCc1nnnn1C1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H16ClN5O/c15-11-5-3-4-10(8-11)14(21)16-9-13-17-18-19-20(13)12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2,(H,16,21)
InChIKeyDBLFNNYEEUMUTK-UHFFFAOYSA-N
XLogP2.37
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295393
1-(3-chlorophenyl)-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea
CID 30295842
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide
CID 30295477
N-[(1-cyclopropyltetrazol-5-yl)methyl]-3-(dimethylamino)benzamide
CID 71989611
N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-diethoxybenzamide
CID 30295362
5-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-nitrobenzamide
CID 30295444
N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 30295463
1-[(4-chlorophenyl)methyl]-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea
CID 30295905
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide
CID 30295335
N-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide
CID 30295231
N-benzyl-3-[(1-cyclobutyltetrazol-5-yl)methoxy]benzamide
CID 167886841
N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide
CID 30295250

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide (CID 30295389) is 3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide is O=C(NCc1nnnn1C1CCCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide?
The InChIKey is DBLFNNYEEUMUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c15-11-5-3-4-10(8-11)14(21)16-9-13-17-18-19-20(13)12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2,(H,16,21).
What are the key properties of 3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide?
3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide has a molecular weight of 305.77 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide is sourced from PubChem (CID 30295389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).