N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(5-propan-2-yltetrazol-1-yl)acetamide

C17H22FN5O — CID 71983293

IUPACN-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(5-propan-2-yltetrazol-1-yl)acetamide
SMILESCC(C)c1nnnn1CC(=O)N(C)C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H22FN5O/c1-11(2)17-19-20-21-23(17)10-15(24)22(3)16(12-4-5-12)13-6-8-14(18)9-7-13/h6-9,11-12,16H,4-5,10H2,1-3H3
InChIKeyLQLXXFNKOUMALE-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.55
Rot. Bonds6

About N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(5-propan-2-yltetrazol-1-yl)acetamide

N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(5-propan-2-yltetrazol-1-yl)acetamide (PubChem CID 71983293) has the molecular formula C17H22FN5O and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(5-propan-2-yltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(5-propan-2-yltetrazol-1-yl)acetamide
PubChem CID71983293
Molecular FormulaC17H22FN5O
Molecular Weight331.40 g/mol
Exact Mass331.18
IUPAC NameN-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(5-propan-2-yltetrazol-1-yl)acetamide
SMILESCC(C)c1nnnn1CC(=O)N(C)C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H22FN5O/c1-11(2)17-19-20-21-23(17)10-15(24)22(3)16(12-4-5-12)13-6-8-14(18)9-7-13/h6-9,11-12,16H,4-5,10H2,1-3H3
InChIKeyLQLXXFNKOUMALE-UHFFFAOYSA-N
XLogP2.55
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(5-propan-2-yltetrazol-1-yl)acetamide?
The IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(5-propan-2-yltetrazol-1-yl)acetamide (CID 71983293) is N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(5-propan-2-yltetrazol-1-yl)acetamide.
What is the SMILES notation for N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(5-propan-2-yltetrazol-1-yl)acetamide?
The canonical SMILES for N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(5-propan-2-yltetrazol-1-yl)acetamide is CC(C)c1nnnn1CC(=O)N(C)C(c1ccc(F)cc1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(5-propan-2-yltetrazol-1-yl)acetamide?
The InChIKey is LQLXXFNKOUMALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O/c1-11(2)17-19-20-21-23(17)10-15(24)22(3)16(12-4-5-12)13-6-8-14(18)9-7-13/h6-9,11-12,16H,4-5,10H2,1-3H3.
What are the key properties of N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(5-propan-2-yltetrazol-1-yl)acetamide?
N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(5-propan-2-yltetrazol-1-yl)acetamide has a molecular weight of 331.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(5-propan-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 71983293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).