N-(3-chloro-2-methylphenyl)-4-(tetrazolidin-5-yl)benzamide

C15H16ClN5O — CID 73390326

IUPACN-(3-chloro-2-methylphenyl)-4-(tetrazolidin-5-yl)benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(C2NNNN2)cc1
InChIInChI=1S/C15H16ClN5O/c1-9-12(16)3-2-4-13(9)17-15(22)11-7-5-10(6-8-11)14-18-20-21-19-14/h2-8,14,18-21H,1H3,(H,17,22)
InChIKeyMEGUCMWPYMCCKU-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.02
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-4-(tetrazolidin-5-yl)benzamide

N-(3-chloro-2-methylphenyl)-4-(tetrazolidin-5-yl)benzamide (PubChem CID 73390326) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-(tetrazolidin-5-yl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-(tetrazolidin-5-yl)benzamide
PubChem CID73390326
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC NameN-(3-chloro-2-methylphenyl)-4-(tetrazolidin-5-yl)benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(C2NNNN2)cc1
InChIInChI=1S/C15H16ClN5O/c1-9-12(16)3-2-4-13(9)17-15(22)11-7-5-10(6-8-11)14-18-20-21-19-14/h2-8,14,18-21H,1H3,(H,17,22)
InChIKeyMEGUCMWPYMCCKU-UHFFFAOYSA-N
XLogP2.02
TPSA77.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

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3-chloro-N-(3-chloro-2-methylphenyl)-4-methoxybenzamide
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N-(3-chloro-2-methylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-(tetrazolidin-5-yl)benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-(tetrazolidin-5-yl)benzamide (CID 73390326) is N-(3-chloro-2-methylphenyl)-4-(tetrazolidin-5-yl)benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-(tetrazolidin-5-yl)benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-(tetrazolidin-5-yl)benzamide is Cc1c(Cl)cccc1NC(=O)c1ccc(C2NNNN2)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-(tetrazolidin-5-yl)benzamide?
The InChIKey is MEGUCMWPYMCCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-9-12(16)3-2-4-13(9)17-15(22)11-7-5-10(6-8-11)14-18-20-21-19-14/h2-8,14,18-21H,1H3,(H,17,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-(tetrazolidin-5-yl)benzamide?
N-(3-chloro-2-methylphenyl)-4-(tetrazolidin-5-yl)benzamide has a molecular weight of 317.78 g/mol, XLogP of 2.02, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-(tetrazolidin-5-yl)benzamide is sourced from PubChem (CID 73390326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).