(1R)-2,2-dichloro-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylcyclopropane-1-carboxamide

C15H15Cl2N5O — CID 39974905

IUPAC(1R)-2,2-dichloro-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylcyclopropane-1-carboxamide
SMILESC[C@]1(C(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)CC1(Cl)Cl
InChIInChI=1S/C15H15Cl2N5O/c1-14(8-15(14,16)17)13(23)18-10-4-2-9(3-5-10)12-19-20-21-22(12)11-6-7-11/h2-5,11H,6-8H2,1H3,(H,18,23)/t14-/m1/s1
InChIKeyRAFJUJJHCIMCRN-CQSZACIVSA-N
MW352.23 g/mol
LogP3.20
Rot. Bonds4

About (1R)-2,2-dichloro-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylcyclopropane-1-carboxamide

(1R)-2,2-dichloro-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 39974905) has the molecular formula C15H15Cl2N5O and a molecular weight of 352.23 g/mol. Its IUPAC name is (1R)-2,2-dichloro-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dichloro-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylcyclopropane-1-carboxamide
PubChem CID39974905
Molecular FormulaC15H15Cl2N5O
Molecular Weight352.23 g/mol
Exact Mass351.07
IUPAC Name(1R)-2,2-dichloro-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylcyclopropane-1-carboxamide
SMILESC[C@]1(C(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)CC1(Cl)Cl
InChIInChI=1S/C15H15Cl2N5O/c1-14(8-15(14,16)17)13(23)18-10-4-2-9(3-5-10)12-19-20-21-22(12)11-6-7-11/h2-5,11H,6-8H2,1H3,(H,18,23)/t14-/m1/s1
InChIKeyRAFJUJJHCIMCRN-CQSZACIVSA-N
XLogP3.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dichloro-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dichloro-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylcyclopropane-1-carboxamide (CID 39974905) is (1R)-2,2-dichloro-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dichloro-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dichloro-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylcyclopropane-1-carboxamide is C[C@]1(C(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)CC1(Cl)Cl.
What is the InChIKey of (1R)-2,2-dichloro-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is RAFJUJJHCIMCRN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H15Cl2N5O/c1-14(8-15(14,16)17)13(23)18-10-4-2-9(3-5-10)12-19-20-21-22(12)11-6-7-11/h2-5,11H,6-8H2,1H3,(H,18,23)/t14-/m1/s1.
What are the key properties of (1R)-2,2-dichloro-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylcyclopropane-1-carboxamide?
(1R)-2,2-dichloro-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 352.23 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dichloro-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 39974905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).