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

C17H16ClFN6O3 — CID 56514012

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide
SMILESCOc1cc(NC(=O)CNc2cc(-n3cnnn3)ccc2F)c(OC)cc1Cl
InChIInChI=1S/C17H16ClFN6O3/c1-27-15-7-14(16(28-2)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)
InChIKeyXIMAELFTZSFGMW-UHFFFAOYSA-N
MW406.81 g/mol
LogP2.52
Rot. Bonds7

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

N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide (PubChem CID 56514012) has the molecular formula C17H16ClFN6O3 and a molecular weight of 406.81 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide
PubChem CID56514012
Molecular FormulaC17H16ClFN6O3
Molecular Weight406.81 g/mol
Exact Mass406.10
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide
SMILESCOc1cc(NC(=O)CNc2cc(-n3cnnn3)ccc2F)c(OC)cc1Cl
InChIInChI=1S/C17H16ClFN6O3/c1-27-15-7-14(16(28-2)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)
InChIKeyXIMAELFTZSFGMW-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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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(1-tetrazolyl)phenoxy]acetamide
CID 1139897
1-({[1-(4-chloro-2,5-dimethoxyphenyl)-1H-tetrazol-5-yl]thio}acetyl)-4-(4-fluorophenyl)piperazine
CID 1263508
N-(4-chloro-2,5-dimethoxyphenyl)-2-{3-nitro-1H-1,2,4-triazol-1-yl}acetamide
CID 749664
2-[(4-chlorophenyl)methylamino]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide
CID 1439927
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-methoxy-4-(tetrazol-1-yl)anilino]acetamide
CID 59708687
2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 1017213
2-(4-chloro-2,5-dimethoxyanilino)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 25491787
N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 25665411
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide
CID 56574021
N-(2,5-diethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide
CID 56574385
N-benzyl-2-{[1-(4-chloro-2,5-dimethoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide
CID 1298350
N~3~-(4-Chloro-2,5-dimethoxyphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 22432347

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide (CID 56514012) is N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide is COc1cc(NC(=O)CNc2cc(-n3cnnn3)ccc2F)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide?
The InChIKey is XIMAELFTZSFGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN6O3/c1-27-15-7-14(16(28-2)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-(4-chloro-2,5-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide?
N-(4-chloro-2,5-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-(4-chloro-2,5-dimethoxyphenyl)-2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetamide is sourced from PubChem (CID 56514012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).