2-chloro-N-methyl-5-[3-(tetrazol-1-yl)propanoylamino]benzamide

C12H13ClN6O2 — CID 125431915

IUPAC2-chloro-N-methyl-5-[3-(tetrazol-1-yl)propanoylamino]benzamide
SMILESCNC(=O)c1cc(NC(=O)CCn2cnnn2)ccc1Cl
InChIInChI=1S/C12H13ClN6O2/c1-14-12(21)9-6-8(2-3-10(9)13)16-11(20)4-5-19-7-15-17-18-19/h2-3,6-7H,4-5H2,1H3,(H,14,21)(H,16,20)
InChIKeyIAAFMMNXVKBOIN-UHFFFAOYSA-N
MW308.73 g/mol
LogP0.71
Rot. Bonds5

About 2-chloro-N-methyl-5-[3-(tetrazol-1-yl)propanoylamino]benzamide

2-chloro-N-methyl-5-[3-(tetrazol-1-yl)propanoylamino]benzamide (PubChem CID 125431915) has the molecular formula C12H13ClN6O2 and a molecular weight of 308.73 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-[3-(tetrazol-1-yl)propanoylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-[3-(tetrazol-1-yl)propanoylamino]benzamide
PubChem CID125431915
Molecular FormulaC12H13ClN6O2
Molecular Weight308.73 g/mol
Exact Mass308.08
IUPAC Name2-chloro-N-methyl-5-[3-(tetrazol-1-yl)propanoylamino]benzamide
SMILESCNC(=O)c1cc(NC(=O)CCn2cnnn2)ccc1Cl
InChIInChI=1S/C12H13ClN6O2/c1-14-12(21)9-6-8(2-3-10(9)13)16-11(20)4-5-19-7-15-17-18-19/h2-3,6-7H,4-5H2,1H3,(H,14,21)(H,16,20)
InChIKeyIAAFMMNXVKBOIN-UHFFFAOYSA-N
XLogP0.71
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-3-(tetrazol-1-yl)propanamide
CID 5297376
2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide
CID 62835283
2-chloro-5-(5-hydroxypentanoylamino)-N-methylbenzamide
CID 79198792
2-chloro-N-methyl-5-(3-oxobutanoylamino)benzamide
CID 54867174
N-[4-(4-fluorophenyl)phenyl]-3-(tetrazol-1-yl)propanamide
CID 46972210
2-chloro-N-methyl-5-[4-(propan-2-ylamino)butanoylamino]benzamide
CID 60928255
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
2-chloro-5-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide
CID 55835896
2-chloro-5-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 55991884
2-chloro-5-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 55835897
N-[4-(butanoylamino)phenyl]-2,5-dichlorobenzamide
CID 1370195
N-(5-methyl-1,2-oxazol-3-yl)-3-(tetrazol-1-yl)propanamide
CID 5301293

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-[3-(tetrazol-1-yl)propanoylamino]benzamide?
The IUPAC name of 2-chloro-N-methyl-5-[3-(tetrazol-1-yl)propanoylamino]benzamide (CID 125431915) is 2-chloro-N-methyl-5-[3-(tetrazol-1-yl)propanoylamino]benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-[3-(tetrazol-1-yl)propanoylamino]benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-[3-(tetrazol-1-yl)propanoylamino]benzamide is CNC(=O)c1cc(NC(=O)CCn2cnnn2)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-[3-(tetrazol-1-yl)propanoylamino]benzamide?
The InChIKey is IAAFMMNXVKBOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN6O2/c1-14-12(21)9-6-8(2-3-10(9)13)16-11(20)4-5-19-7-15-17-18-19/h2-3,6-7H,4-5H2,1H3,(H,14,21)(H,16,20).
What are the key properties of 2-chloro-N-methyl-5-[3-(tetrazol-1-yl)propanoylamino]benzamide?
2-chloro-N-methyl-5-[3-(tetrazol-1-yl)propanoylamino]benzamide has a molecular weight of 308.73 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-[3-(tetrazol-1-yl)propanoylamino]benzamide is sourced from PubChem (CID 125431915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).