N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzamide

C15H19N5O — CID 2572459

IUPACN-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzamide
SMILESO=C(NCC1CCCCC1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H19N5O/c21-15(16-10-12-4-2-1-3-5-12)13-6-8-14(9-7-13)20-11-17-18-19-20/h6-9,11-12H,1-5,10H2,(H,16,21)
InChIKeyHLGKDKCIIBUXIA-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.97
Rot. Bonds4

About N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzamide

N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzamide (PubChem CID 2572459) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzamide
PubChem CID2572459
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzamide
SMILESO=C(NCC1CCCCC1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H19N5O/c21-15(16-10-12-4-2-1-3-5-12)13-6-8-14(9-7-13)20-11-17-18-19-20/h6-9,11-12H,1-5,10H2,(H,16,21)
InChIKeyHLGKDKCIIBUXIA-UHFFFAOYSA-N
XLogP1.97
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzamide (CID 2572459) is N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzamide is O=C(NCC1CCCCC1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzamide?
The InChIKey is HLGKDKCIIBUXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c21-15(16-10-12-4-2-1-3-5-12)13-6-8-14(9-7-13)20-11-17-18-19-20/h6-9,11-12H,1-5,10H2,(H,16,21).
What are the key properties of N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzamide?
N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzamide has a molecular weight of 285.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 2572459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).