N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5-phenyltetrazol-2-yl)acetamide

C20H20FN5O2 — CID 139008650

IUPACN-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCC1(C)CC(NC(=O)Cn2nnc(-c3ccccc3)n2)c2ccc(F)cc2O1
InChIInChI=1S/C20H20FN5O2/c1-20(2)11-16(15-9-8-14(21)10-17(15)28-20)22-18(27)12-26-24-19(23-25-26)13-6-4-3-5-7-13/h3-10,16H,11-12H2,1-2H3,(H,22,27)
InChIKeyRRZMAJTVQVUSMR-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.90
Rot. Bonds4

About N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5-phenyltetrazol-2-yl)acetamide

N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 139008650) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID139008650
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC NameN-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCC1(C)CC(NC(=O)Cn2nnc(-c3ccccc3)n2)c2ccc(F)cc2O1
InChIInChI=1S/C20H20FN5O2/c1-20(2)11-16(15-9-8-14(21)10-17(15)28-20)22-18(27)12-26-24-19(23-25-26)13-6-4-3-5-7-13/h3-10,16H,11-12H2,1-2H3,(H,22,27)
InChIKeyRRZMAJTVQVUSMR-UHFFFAOYSA-N
XLogP2.90
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5-phenyltetrazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5-phenyltetrazol-2-yl)acetamide (CID 139008650) is N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5-phenyltetrazol-2-yl)acetamide is CC1(C)CC(NC(=O)Cn2nnc(-c3ccccc3)n2)c2ccc(F)cc2O1.
What is the InChIKey of N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is RRZMAJTVQVUSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-20(2)11-16(15-9-8-14(21)10-17(15)28-20)22-18(27)12-26-24-19(23-25-26)13-6-4-3-5-7-13/h3-10,16H,11-12H2,1-2H3,(H,22,27).
What are the key properties of N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5-phenyltetrazol-2-yl)acetamide?
N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 381.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 139008650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).