cis-(1S,2R)-2-(2,4-dichlorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide

C11H9Cl2N5O — CID 97211305

IUPACcis-(1S,2R)-2-(2,4-dichlorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nn[nH]n1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H9Cl2N5O/c12-5-1-2-6(9(13)3-5)7-4-8(7)10(19)14-11-15-17-18-16-11/h1-3,7-8H,4H2,(H2,14,15,16,17,18,19)/t7-,8-/m0/s1
InChIKeyGWKZPBBIGROEFZ-YUMQZZPRSA-N
MW298.13 g/mol
LogP2.25
Rot. Bonds3

About cis-(1S,2R)-2-(2,4-dichlorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide

cis-(1S,2R)-2-(2,4-dichlorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 97211305) has the molecular formula C11H9Cl2N5O and a molecular weight of 298.13 g/mol. Its IUPAC name is cis-(1S,2R)-2-(2,4-dichlorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(2,4-dichlorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
PubChem CID97211305
Molecular FormulaC11H9Cl2N5O
Molecular Weight298.13 g/mol
Exact Mass297.02
IUPAC Namecis-(1S,2R)-2-(2,4-dichlorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nn[nH]n1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H9Cl2N5O/c12-5-1-2-6(9(13)3-5)7-4-8(7)10(19)14-11-15-17-18-16-11/h1-3,7-8H,4H2,(H2,14,15,16,17,18,19)/t7-,8-/m0/s1
InChIKeyGWKZPBBIGROEFZ-YUMQZZPRSA-N
XLogP2.25
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(2,4-dichlorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(2,4-dichlorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide (CID 97211305) is cis-(1S,2R)-2-(2,4-dichlorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(2,4-dichlorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(2,4-dichlorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide is O=C(Nc1nn[nH]n1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl.
What is the InChIKey of cis-(1S,2R)-2-(2,4-dichlorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is GWKZPBBIGROEFZ-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H9Cl2N5O/c12-5-1-2-6(9(13)3-5)7-4-8(7)10(19)14-11-15-17-18-16-11/h1-3,7-8H,4H2,(H2,14,15,16,17,18,19)/t7-,8-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(2,4-dichlorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(2,4-dichlorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 298.13 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(2,4-dichlorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97211305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).