N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide

C17H16ClFN6O3 — CID 56574021

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide
SMILESCOc1cc(OC)c(NC(=O)CNc2cc(-n3cnnn3)ccc2F)cc1Cl
InChIInChI=1S/C17H16ClFN6O3/c1-27-15-7-16(28-2)14(6-11(15)18)22-17(26)8-20-13-5-10(3-4-12(13)19)25-9-21-23-24-25/h3-7,9,20H,8H2,1-2H3,(H,22,26)
InChIKeyBYJVWHLJYRNJBD-UHFFFAOYSA-N
MW406.81 g/mol
LogP2.52
Rot. Bonds7

About N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide (PubChem CID 56574021) has the molecular formula C17H16ClFN6O3 and a molecular weight of 406.81 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide
PubChem CID56574021
Molecular FormulaC17H16ClFN6O3
Molecular Weight406.81 g/mol
Exact Mass406.10
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide
SMILESCOc1cc(OC)c(NC(=O)CNc2cc(-n3cnnn3)ccc2F)cc1Cl
InChIInChI=1S/C17H16ClFN6O3/c1-27-15-7-16(28-2)14(6-11(15)18)22-17(26)8-20-13-5-10(3-4-12(13)19)25-9-21-23-24-25/h3-7,9,20H,8H2,1-2H3,(H,22,26)
InChIKeyBYJVWHLJYRNJBD-UHFFFAOYSA-N
XLogP2.52
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.81
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide (CID 56574021) is N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide is COc1cc(OC)c(NC(=O)CNc2cc(-n3cnnn3)ccc2F)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide?
The InChIKey is BYJVWHLJYRNJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN6O3/c1-27-15-7-16(28-2)14(6-11(15)18)22-17(26)8-20-13-5-10(3-4-12(13)19)25-9-21-23-24-25/h3-7,9,20H,8H2,1-2H3,(H,22,26).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide has a molecular weight of 406.81 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide is sourced from PubChem (CID 56574021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).