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

C11H12ClN5O — CID 893922

IUPAC4-chloro-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H12ClN5O/c1-2-7-17-15-11(14-16-17)13-10(18)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H,13,15,18)
InChIKeyBHFLXVHWGZQFTE-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.99
Rot. Bonds4

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

4-chloro-N-(2-propyltetrazol-5-yl)benzamide (PubChem CID 893922) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 4-chloro-N-(2-propyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-propyltetrazol-5-yl)benzamide
PubChem CID893922
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name4-chloro-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H12ClN5O/c1-2-7-17-15-11(14-16-17)13-10(18)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H,13,15,18)
InChIKeyBHFLXVHWGZQFTE-UHFFFAOYSA-N
XLogP1.99
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-(2-propyltetrazol-5-yl)benzamide
CID 649694
2-(4-chlorophenyl)sulfanyl-N-(2-propyltetrazol-5-yl)acetamide
CID 959578
4-methyl-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 959838
N-[(4-chlorophenyl)methyl]-2-propyltetrazol-5-amine
CID 18778310
2,2,2-trichloro-N-(2-propyltetrazol-5-yl)acetamide
CID 3330529
4-chloro-N-[[2-(2-methylpropyl)tetrazol-5-yl]carbamothioyl]benzamide
CID 17099345
N-[(2-butyltetrazol-5-yl)carbamothioyl]-2-(4-chlorophenyl)acetamide
CID 9185003
4-(2-methylpropoxy)-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 3338877
N-[(2-butyltetrazol-5-yl)carbamothioyl]-4-propan-2-ylbenzamide
CID 4310789
3,4-dichloro-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177274
3,4,5-triethoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 5109132
4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide
CID 645076

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-propyltetrazol-5-yl)benzamide?
The IUPAC name of 4-chloro-N-(2-propyltetrazol-5-yl)benzamide (CID 893922) is 4-chloro-N-(2-propyltetrazol-5-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-propyltetrazol-5-yl)benzamide?
The canonical SMILES for 4-chloro-N-(2-propyltetrazol-5-yl)benzamide is CCCn1nnc(NC(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-(2-propyltetrazol-5-yl)benzamide?
The InChIKey is BHFLXVHWGZQFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-2-7-17-15-11(14-16-17)13-10(18)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H,13,15,18).
What are the key properties of 4-chloro-N-(2-propyltetrazol-5-yl)benzamide?
4-chloro-N-(2-propyltetrazol-5-yl)benzamide has a molecular weight of 265.70 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-propyltetrazol-5-yl)benzamide is sourced from PubChem (CID 893922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).