N-(4-chlorophenyl)-4-(2H-tetrazol-5-yl)benzamide

C14H10ClN5O — CID 23541035

IUPACN-(4-chlorophenyl)-4-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H10ClN5O/c15-11-5-7-12(8-6-11)16-14(21)10-3-1-9(2-4-10)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20)
InChIKeySLMPSGMCNFHIAY-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.77
Rot. Bonds3

About N-(4-chlorophenyl)-4-(2H-tetrazol-5-yl)benzamide

N-(4-chlorophenyl)-4-(2H-tetrazol-5-yl)benzamide (PubChem CID 23541035) has the molecular formula C14H10ClN5O and a molecular weight of 299.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(2H-tetrazol-5-yl)benzamide
PubChem CID23541035
Molecular FormulaC14H10ClN5O
Molecular Weight299.72 g/mol
Exact Mass299.06
IUPAC NameN-(4-chlorophenyl)-4-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H10ClN5O/c15-11-5-7-12(8-6-11)16-14(21)10-3-1-9(2-4-10)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20)
InChIKeySLMPSGMCNFHIAY-UHFFFAOYSA-N
XLogP2.77
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-(4-chlorophenyl)-4-(2H-tetrazol-5-yl)benzamide (CID 23541035) is N-(4-chlorophenyl)-4-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(2H-tetrazol-5-yl)benzamide is O=C(Nc1ccc(Cl)cc1)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(2H-tetrazol-5-yl)benzamide?
The InChIKey is SLMPSGMCNFHIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5O/c15-11-5-7-12(8-6-11)16-14(21)10-3-1-9(2-4-10)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20).
What are the key properties of N-(4-chlorophenyl)-4-(2H-tetrazol-5-yl)benzamide?
N-(4-chlorophenyl)-4-(2H-tetrazol-5-yl)benzamide has a molecular weight of 299.72 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 23541035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).