N-(3-fluoro-4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide

C18H18FN5O3 — CID 177372546

IUPACN-(3-fluoro-4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide
SMILESCOc1cccc(-c2nnn(CC(=O)N(C)c3ccc(OC)c(F)c3)n2)c1
InChIInChI=1S/C18H18FN5O3/c1-23(13-7-8-16(27-3)15(19)10-13)17(25)11-24-21-18(20-22-24)12-5-4-6-14(9-12)26-2/h4-10H,11H2,1-3H3
InChIKeyGEKMKKDVQHAHLD-UHFFFAOYSA-N
MW371.37 g/mol
LogP2.16
Rot. Bonds6

About N-(3-fluoro-4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide

N-(3-fluoro-4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide (PubChem CID 177372546) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide
PubChem CID177372546
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide
SMILESCOc1cccc(-c2nnn(CC(=O)N(C)c3ccc(OC)c(F)c3)n2)c1
InChIInChI=1S/C18H18FN5O3/c1-23(13-7-8-16(27-3)15(19)10-13)17(25)11-24-21-18(20-22-24)12-5-4-6-14(9-12)26-2/h4-10H,11H2,1-3H3
InChIKeyGEKMKKDVQHAHLD-UHFFFAOYSA-N
XLogP2.16
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide (CID 177372546) is N-(3-fluoro-4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide is COc1cccc(-c2nnn(CC(=O)N(C)c3ccc(OC)c(F)c3)n2)c1.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide?
The InChIKey is GEKMKKDVQHAHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3/c1-23(13-7-8-16(27-3)15(19)10-13)17(25)11-24-21-18(20-22-24)12-5-4-6-14(9-12)26-2/h4-10H,11H2,1-3H3.
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide?
N-(3-fluoro-4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide has a molecular weight of 371.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 177372546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).