3-chloro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide

C12H14ClN5O2 — CID 936159

IUPAC3-chloro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C12H14ClN5O2/c1-3-6-18-16-12(15-17-18)14-11(19)8-4-5-10(20-2)9(13)7-8/h4-5,7H,3,6H2,1-2H3,(H,14,16,19)
InChIKeyWDCKSJCPVMGUPJ-UHFFFAOYSA-N
MW295.73 g/mol
LogP2.00
Rot. Bonds5

About 3-chloro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide

3-chloro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide (PubChem CID 936159) has the molecular formula C12H14ClN5O2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
PubChem CID936159
Molecular FormulaC12H14ClN5O2
Molecular Weight295.73 g/mol
Exact Mass295.08
IUPAC Name3-chloro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C12H14ClN5O2/c1-3-6-18-16-12(15-17-18)14-11(19)8-4-5-10(20-2)9(13)7-8/h4-5,7H,3,6H2,1-2H3,(H,14,16,19)
InChIKeyWDCKSJCPVMGUPJ-UHFFFAOYSA-N
XLogP2.00
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide (CID 936159) is 3-chloro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide is CCCn1nnc(NC(=O)c2ccc(OC)c(Cl)c2)n1.
What is the InChIKey of 3-chloro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
The InChIKey is WDCKSJCPVMGUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2/c1-3-6-18-16-12(15-17-18)14-11(19)8-4-5-10(20-2)9(13)7-8/h4-5,7H,3,6H2,1-2H3,(H,14,16,19).
What are the key properties of 3-chloro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
3-chloro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide has a molecular weight of 295.73 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(2-propyltetrazol-5-yl)benzamide is sourced from PubChem (CID 936159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).