N-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyltetrazol-1-yl)propanamide

C13H16ClN5O3 — CID 122148587

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyltetrazol-1-yl)propanamide
SMILESCOc1cc(NC(=O)CCn2nnnc2C)c(OC)cc1Cl
InChIInChI=1S/C13H16ClN5O3/c1-8-16-17-18-19(8)5-4-13(20)15-10-7-11(21-2)9(14)6-12(10)22-3/h6-7H,4-5H2,1-3H3,(H,15,20)
InChIKeyKXVITWJDTKXMBC-UHFFFAOYSA-N
MW325.76 g/mol
LogP1.68
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyltetrazol-1-yl)propanamide

N-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyltetrazol-1-yl)propanamide (PubChem CID 122148587) has the molecular formula C13H16ClN5O3 and a molecular weight of 325.76 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyltetrazol-1-yl)propanamide
PubChem CID122148587
Molecular FormulaC13H16ClN5O3
Molecular Weight325.76 g/mol
Exact Mass325.09
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyltetrazol-1-yl)propanamide
SMILESCOc1cc(NC(=O)CCn2nnnc2C)c(OC)cc1Cl
InChIInChI=1S/C13H16ClN5O3/c1-8-16-17-18-19(8)5-4-13(20)15-10-7-11(21-2)9(14)6-12(10)22-3/h6-7H,4-5H2,1-3H3,(H,15,20)
InChIKeyKXVITWJDTKXMBC-UHFFFAOYSA-N
XLogP1.68
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 87044058
N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide
CID 54924434
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-methyl-3-(5-methyltetrazol-1-yl)anilino]acetamide
CID 56514408
N-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30444435
5-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
CID 82848785
2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 110687101
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686963
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-(4-chloro-2,5-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499410
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26620549
7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride
CID 119683375

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyltetrazol-1-yl)propanamide (CID 122148587) is N-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyltetrazol-1-yl)propanamide is COc1cc(NC(=O)CCn2nnnc2C)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is KXVITWJDTKXMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O3/c1-8-16-17-18-19(8)5-4-13(20)15-10-7-11(21-2)9(14)6-12(10)22-3/h6-7H,4-5H2,1-3H3,(H,15,20).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyltetrazol-1-yl)propanamide?
N-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 325.76 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 122148587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).