N-[(1R,2R)-2-hydroxycyclohexyl]-3-(2H-tetrazol-5-yl)benzamide

C14H17N5O2 — CID 102739177

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-3-(2H-tetrazol-5-yl)benzamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C14H17N5O2/c20-12-7-2-1-6-11(12)15-14(21)10-5-3-4-9(8-10)13-16-18-19-17-13/h3-5,8,11-12,20H,1-2,6-7H2,(H,15,21)(H,16,17,18,19)/t11-,12-/m1/s1
InChIKeyIRMZGDBLDUQUHU-VXGBXAGGSA-N
MW287.32 g/mol
LogP0.90
Rot. Bonds3

About N-[(1R,2R)-2-hydroxycyclohexyl]-3-(2H-tetrazol-5-yl)benzamide

N-[(1R,2R)-2-hydroxycyclohexyl]-3-(2H-tetrazol-5-yl)benzamide (PubChem CID 102739177) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-3-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-3-(2H-tetrazol-5-yl)benzamide
PubChem CID102739177
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-3-(2H-tetrazol-5-yl)benzamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C14H17N5O2/c20-12-7-2-1-6-11(12)15-14(21)10-5-3-4-9(8-10)13-16-18-19-17-13/h3-5,8,11-12,20H,1-2,6-7H2,(H,15,21)(H,16,17,18,19)/t11-,12-/m1/s1
InChIKeyIRMZGDBLDUQUHU-VXGBXAGGSA-N
XLogP0.90
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 118768379
2-cyclopropyl-2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
CID 62695358
3-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 40546214
3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107211397
3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
CID 113394806
3-(2-aminoethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 107211868
3-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 40605325
N-cyclohexyl-4-(2H-tetrazol-5-yl)benzamide
CID 23541044
2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 43355204
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439
N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2H-tetrazol-5-yl)benzamide
CID 106166243
2-butyl-N-(2-hydroxycyclohexyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 15661987

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-3-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-3-(2H-tetrazol-5-yl)benzamide (CID 102739177) is N-[(1R,2R)-2-hydroxycyclohexyl]-3-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-3-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-3-(2H-tetrazol-5-yl)benzamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-3-(2H-tetrazol-5-yl)benzamide?
The InChIKey is IRMZGDBLDUQUHU-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-12-7-2-1-6-11(12)15-14(21)10-5-3-4-9(8-10)13-16-18-19-17-13/h3-5,8,11-12,20H,1-2,6-7H2,(H,15,21)(H,16,17,18,19)/t11-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-3-(2H-tetrazol-5-yl)benzamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-3-(2H-tetrazol-5-yl)benzamide has a molecular weight of 287.32 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-3-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 102739177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).