N-(4-chloro-2,5-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)acetamide

C11H12ClN5O3 — CID 110499410

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESCOc1cc(NC(=O)Cc2nn[nH]n2)c(OC)cc1Cl
InChIInChI=1S/C11H12ClN5O3/c1-19-8-4-7(9(20-2)3-6(8)12)13-11(18)5-10-14-16-17-15-10/h3-4H,5H2,1-2H3,(H,13,18)(H,14,15,16,17)
InChIKeyXAJYWAANHRENEK-UHFFFAOYSA-N
MW297.70 g/mol
LogP1.05
Rot. Bonds5

About N-(4-chloro-2,5-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)acetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110499410) has the molecular formula C11H12ClN5O3 and a molecular weight of 297.70 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110499410
Molecular FormulaC11H12ClN5O3
Molecular Weight297.70 g/mol
Exact Mass297.06
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESCOc1cc(NC(=O)Cc2nn[nH]n2)c(OC)cc1Cl
InChIInChI=1S/C11H12ClN5O3/c1-19-8-4-7(9(20-2)3-6(8)12)13-11(18)5-10-14-16-17-15-10/h3-4H,5H2,1-2H3,(H,13,18)(H,14,15,16,17)
InChIKeyXAJYWAANHRENEK-UHFFFAOYSA-N
XLogP1.05
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.70
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 8501521
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 110687101
3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 60850759
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide
CID 113001547
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 113001558
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 8501524
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978511
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110651208
2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 9162813
2-(1,3-benzoxazol-6-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 110771892
N-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyltetrazol-1-yl)propanamide
CID 122148587

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)acetamide (CID 110499410) is N-(4-chloro-2,5-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)acetamide is COc1cc(NC(=O)Cc2nn[nH]n2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is XAJYWAANHRENEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O3/c1-19-8-4-7(9(20-2)3-6(8)12)13-11(18)5-10-14-16-17-15-10/h3-4H,5H2,1-2H3,(H,13,18)(H,14,15,16,17).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 297.70 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110499410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).