N-[(R)-(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylformamide

C18H17Cl2N5O — CID 7285508

IUPACN-[(R)-(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylformamide
SMILESCc1cccc(C)c1-n1nnnc1[C@@H](c1ccc(Cl)cc1Cl)N(C)C=O
InChIInChI=1S/C18H17Cl2N5O/c1-11-5-4-6-12(2)16(11)25-18(21-22-23-25)17(24(3)10-26)14-8-7-13(19)9-15(14)20/h4-10,17H,1-3H3/t17-/m1/s1
InChIKeyKMLOOJGRIQUYDE-QGZVFWFLSA-N
MW390.27 g/mol
LogP3.76
Rot. Bonds5

About N-[(R)-(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylformamide

N-[(R)-(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylformamide (PubChem CID 7285508) has the molecular formula C18H17Cl2N5O and a molecular weight of 390.27 g/mol. Its IUPAC name is N-[(R)-(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylformamide.

Molecular Properties

Compound NameN-[(R)-(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylformamide
PubChem CID7285508
Molecular FormulaC18H17Cl2N5O
Molecular Weight390.27 g/mol
Exact Mass389.08
IUPAC NameN-[(R)-(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylformamide
SMILESCc1cccc(C)c1-n1nnnc1[C@@H](c1ccc(Cl)cc1Cl)N(C)C=O
InChIInChI=1S/C18H17Cl2N5O/c1-11-5-4-6-12(2)16(11)25-18(21-22-23-25)17(24(3)10-26)14-8-7-13(19)9-15(14)20/h4-10,17H,1-3H3/t17-/m1/s1
InChIKeyKMLOOJGRIQUYDE-QGZVFWFLSA-N
XLogP3.76
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylformamide?
The IUPAC name of N-[(R)-(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylformamide (CID 7285508) is N-[(R)-(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylformamide.
What is the SMILES notation for N-[(R)-(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylformamide?
The canonical SMILES for N-[(R)-(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylformamide is Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccc(Cl)cc1Cl)N(C)C=O.
What is the InChIKey of N-[(R)-(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylformamide?
The InChIKey is KMLOOJGRIQUYDE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17Cl2N5O/c1-11-5-4-6-12(2)16(11)25-18(21-22-23-25)17(24(3)10-26)14-8-7-13(19)9-15(14)20/h4-10,17H,1-3H3/t17-/m1/s1.
What are the key properties of N-[(R)-(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylformamide?
N-[(R)-(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylformamide has a molecular weight of 390.27 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2,4-dichlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylformamide is sourced from PubChem (CID 7285508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).