N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide

C15H19N5O — CID 28935459

IUPACN-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H19N5O/c1-11-5-2-3-8-14(11)17-15(21)12-6-4-7-13(9-12)20-10-16-18-19-20/h4,6-7,9-11,14H,2-3,5,8H2,1H3,(H,17,21)/t11-,14+/m0/s1
InChIKeyBBFVOEMPRYOUDS-SMDDNHRTSA-N
MW285.35 g/mol
LogP1.97
Rot. Bonds3

About N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide

N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 28935459) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide
PubChem CID28935459
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H19N5O/c1-11-5-2-3-8-14(11)17-15(21)12-6-4-7-13(9-12)20-10-16-18-19-20/h4,6-7,9-11,14H,2-3,5,8H2,1H3,(H,17,21)/t11-,14+/m0/s1
InChIKeyBBFVOEMPRYOUDS-SMDDNHRTSA-N
XLogP1.97
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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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Related Compounds

N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769172
N-(2-methylcyclohexyl)-2-(tetrazol-1-yl)benzamide
CID 78789651
N-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 120601332
3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 848103
N-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4063191
2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine
CID 43194972
N-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide
CID 95296179
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(tetrazol-1-yl)benzamide
CID 3215286
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(tetrazol-1-yl)benzamide
CID 39952228
N-(dicyclopropylmethyl)-3-(tetrazol-1-yl)benzamide
CID 25492900
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-(2-amino-1-cyclopropylethyl)-3-(tetrazol-1-yl)benzamide
CID 119614861

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide (CID 28935459) is N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide is C[C@H]1CCCC[C@H]1NC(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is BBFVOEMPRYOUDS-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-5-2-3-8-14(11)17-15(21)12-6-4-7-13(9-12)20-10-16-18-19-20/h4,6-7,9-11,14H,2-3,5,8H2,1H3,(H,17,21)/t11-,14+/m0/s1.
What are the key properties of N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide?
N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 285.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 28935459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).