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

C14H16ClN5O — CID 30295393

IUPAC4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
SMILESO=C(NCc1nnnn1C1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN5O/c15-11-7-5-10(6-8-11)14(21)16-9-13-17-18-19-20(13)12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H,16,21)
InChIKeyPVJVIGFYGVDVGU-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.37
Rot. Bonds4

About 4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide

4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide (PubChem CID 30295393) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
PubChem CID30295393
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
SMILESO=C(NCc1nnnn1C1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN5O/c15-11-7-5-10(6-8-11)14(21)16-9-13-17-18-19-20(13)12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H,16,21)
InChIKeyPVJVIGFYGVDVGU-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

3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295389
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide
CID 30295477
1-[(4-chlorophenyl)methyl]-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea
CID 30295905
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide
CID 30295335
1-(4-chlorophenyl)-2-(1-cyclohexyltetrazol-5-yl)ethanone
CID 134907750
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-(3-chlorophenyl)-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea
CID 30295842
N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide
CID 30295250
N-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide
CID 30295231
4-chloro-N'-[2-(1-cyclohexyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
CID 27047554

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide?
The IUPAC name of 4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide (CID 30295393) is 4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide is O=C(NCc1nnnn1C1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide?
The InChIKey is PVJVIGFYGVDVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c15-11-7-5-10(6-8-11)14(21)16-9-13-17-18-19-20(13)12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H,16,21).
What are the key properties of 4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide?
4-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 4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide is sourced from PubChem (CID 30295393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).