cis-(1S,2R)-N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide

C14H15Cl2N5O — CID 45484645

IUPACcis-(1S,2R)-N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCC[C@H]1c1nn[nH]n1
InChIInChI=1S/C14H15Cl2N5O/c15-8-5-9(16)7-10(6-8)17-14(22)12-4-2-1-3-11(12)13-18-20-21-19-13/h5-7,11-12H,1-4H2,(H,17,22)(H,18,19,20,21)/t11-,12+/m1/s1
InChIKeyFJGGFYUBHLIODW-NEPJUHHUSA-N
MW340.21 g/mol
LogP3.42
Rot. Bonds3

About cis-(1S,2R)-N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide

cis-(1S,2R)-N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide (PubChem CID 45484645) has the molecular formula C14H15Cl2N5O and a molecular weight of 340.21 g/mol. Its IUPAC name is cis-(1S,2R)-N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide
PubChem CID45484645
Molecular FormulaC14H15Cl2N5O
Molecular Weight340.21 g/mol
Exact Mass339.07
IUPAC Namecis-(1S,2R)-N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCC[C@H]1c1nn[nH]n1
InChIInChI=1S/C14H15Cl2N5O/c15-8-5-9(16)7-10(6-8)17-14(22)12-4-2-1-3-11(12)13-18-20-21-19-13/h5-7,11-12H,1-4H2,(H,17,22)(H,18,19,20,21)/t11-,12+/m1/s1
InChIKeyFJGGFYUBHLIODW-NEPJUHHUSA-N
XLogP3.42
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide (CID 45484645) is cis-(1S,2R)-N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCC[C@H]1c1nn[nH]n1.
What is the InChIKey of cis-(1S,2R)-N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide?
The InChIKey is FJGGFYUBHLIODW-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H15Cl2N5O/c15-8-5-9(16)7-10(6-8)17-14(22)12-4-2-1-3-11(12)13-18-20-21-19-13/h5-7,11-12H,1-4H2,(H,17,22)(H,18,19,20,21)/t11-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide?
cis-(1S,2R)-N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide has a molecular weight of 340.21 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 45484645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).