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

C12H14ClN5O2 — CID 894216

IUPAC5-chloro-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2cc(Cl)ccc2OC)n1
InChIInChI=1S/C12H14ClN5O2/c1-3-6-18-16-12(15-17-18)14-11(19)9-7-8(13)4-5-10(9)20-2/h4-5,7H,3,6H2,1-2H3,(H,14,16,19)
InChIKeyPHMAXTXLMXREDQ-UHFFFAOYSA-N
MW295.73 g/mol
LogP2.00
Rot. Bonds5

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

5-chloro-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide (PubChem CID 894216) has the molecular formula C12H14ClN5O2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide
PubChem CID894216
Molecular FormulaC12H14ClN5O2
Molecular Weight295.73 g/mol
Exact Mass295.08
IUPAC Name5-chloro-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2cc(Cl)ccc2OC)n1
InChIInChI=1S/C12H14ClN5O2/c1-3-6-18-16-12(15-17-18)14-11(19)9-7-8(13)4-5-10(9)20-2/h4-5,7H,3,6H2,1-2H3,(H,14,16,19)
InChIKeyPHMAXTXLMXREDQ-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

Analyze 5-chloro-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bas 07005712
CID 656143
5-chloro-2-methoxy-N-(2-methyl-2H-tetrazol-5-yl)benzamide
CID 648937
2-methoxy-N-[(2-propyl-2H-tetrazol-5-yl)carbamothioyl]benzamide
CID 936801
N-(2-Ethyl-2H-tetrazol-5-yl)-2,6-dimethoxy-benzamide
CID 650151
2-ethoxy-N-(1H-tetrazol-5-yl)benzamide
CID 896527
5-Chloro-N-(5-ethoxymethyl-[1,3,4]thiadiazol-2-yl)-2-methoxy-benzamide
CID 3158224
5-chloro-2-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 669777
3-chloro-4-ethoxy-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 2194000
3,5-dichloro-N-(2-ethyl-2H-tetrazol-5-yl)-4-methoxybenzamide
CID 654817
5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 750669
5-chloro-2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 800026
5-chloro-2-hydroxy-N-(tetrazol-5-yl)benzamide
CID 12962781

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide (CID 894216) is 5-chloro-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide is CCCn1nnc(NC(=O)c2cc(Cl)ccc2OC)n1.
What is the InChIKey of 5-chloro-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
The InChIKey is PHMAXTXLMXREDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2/c1-3-6-18-16-12(15-17-18)14-11(19)9-7-8(13)4-5-10(9)20-2/h4-5,7H,3,6H2,1-2H3,(H,14,16,19).
What are the key properties of 5-chloro-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
5-chloro-2-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 5-chloro-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide is sourced from PubChem (CID 894216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).