4-(2-chlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide

C17H14ClF2N5O2 — CID 70181472

IUPAC4-(2-chlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide
SMILESCC(C)N(C(=O)n1nnn(-c2ccccc2Cl)c1=O)c1ccc(F)cc1F
InChIInChI=1S/C17H14ClF2N5O2/c1-10(2)23(15-8-7-11(19)9-13(15)20)16(26)25-17(27)24(21-22-25)14-6-4-3-5-12(14)18/h3-10H,1-2H3
InChIKeyDNPDIYRGUCJWTF-UHFFFAOYSA-N
MW393.78 g/mol
LogP3.24
Rot. Bonds3

About 4-(2-chlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide

4-(2-chlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide (PubChem CID 70181472) has the molecular formula C17H14ClF2N5O2 and a molecular weight of 393.78 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide
PubChem CID70181472
Molecular FormulaC17H14ClF2N5O2
Molecular Weight393.78 g/mol
Exact Mass393.08
IUPAC Name4-(2-chlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide
SMILESCC(C)N(C(=O)n1nnn(-c2ccccc2Cl)c1=O)c1ccc(F)cc1F
InChIInChI=1S/C17H14ClF2N5O2/c1-10(2)23(15-8-7-11(19)9-13(15)20)16(26)25-17(27)24(21-22-25)14-6-4-3-5-12(14)18/h3-10H,1-2H3
InChIKeyDNPDIYRGUCJWTF-UHFFFAOYSA-N
XLogP3.24
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.78
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide (CID 70181472) is 4-(2-chlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide is CC(C)N(C(=O)n1nnn(-c2ccccc2Cl)c1=O)c1ccc(F)cc1F.
What is the InChIKey of 4-(2-chlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide?
The InChIKey is DNPDIYRGUCJWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N5O2/c1-10(2)23(15-8-7-11(19)9-13(15)20)16(26)25-17(27)24(21-22-25)14-6-4-3-5-12(14)18/h3-10H,1-2H3.
What are the key properties of 4-(2-chlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide?
4-(2-chlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide has a molecular weight of 393.78 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-(2,4-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide is sourced from PubChem (CID 70181472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).