N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]acetamide

C19H21ClN6O3 — CID 56514408

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]acetamide
SMILESCOc1cc(NC(=O)CNc2ccc(C)c(-n3nnnc3C)c2)c(OC)cc1Cl
InChIInChI=1S/C19H21ClN6O3/c1-11-5-6-13(7-16(11)26-12(2)23-24-25-26)21-10-19(27)22-15-9-17(28-3)14(20)8-18(15)29-4/h5-9,21H,10H2,1-4H3,(H,22,27)
InChIKeyRSBZTSUBLFSAST-UHFFFAOYSA-N
MW416.87 g/mol
LogP3.00
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]acetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]acetamide (PubChem CID 56514408) has the molecular formula C19H21ClN6O3 and a molecular weight of 416.87 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]acetamide
PubChem CID56514408
Molecular FormulaC19H21ClN6O3
Molecular Weight416.87 g/mol
Exact Mass416.14
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]acetamide
SMILESCOc1cc(NC(=O)CNc2ccc(C)c(-n3nnnc3C)c2)c(OC)cc1Cl
InChIInChI=1S/C19H21ClN6O3/c1-11-5-6-13(7-16(11)26-12(2)23-24-25-26)21-10-19(27)22-15-9-17(28-3)14(20)8-18(15)29-4/h5-9,21H,10H2,1-4H3,(H,22,27)
InChIKeyRSBZTSUBLFSAST-UHFFFAOYSA-N
XLogP3.00
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dichloroanilino)acetamide
CID 42026344
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]acetamide
CID 56574355
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
CID 42026868
N-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyltetrazol-1-yl)propanamide
CID 122148587
2-(3-bromoanilino)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 42026315
2-(4-chloro-2,5-dimethoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 9106808
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluoroanilino)acetamide
CID 109011257
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]benzamide
CID 46633585
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 8501521
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,5-dimethoxyanilino)acetamide
CID 109009482
2-(3,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 9098774

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]acetamide (CID 56514408) is N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]acetamide is COc1cc(NC(=O)CNc2ccc(C)c(-n3nnnc3C)c2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]acetamide?
The InChIKey is RSBZTSUBLFSAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O3/c1-11-5-6-13(7-16(11)26-12(2)23-24-25-26)21-10-19(27)22-15-9-17(28-3)14(20)8-18(15)29-4/h5-9,21H,10H2,1-4H3,(H,22,27).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]acetamide has a molecular weight of 416.87 g/mol, XLogP of 3.00, 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-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]acetamide is sourced from PubChem (CID 56514408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).