N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide

C15H12ClN5O — CID 9208938

IUPACN-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccccc1-n1cnnn1
InChIInChI=1S/C15H12ClN5O/c16-12-5-3-4-11(8-12)9-17-15(22)13-6-1-2-7-14(13)21-10-18-19-20-21/h1-8,10H,9H2,(H,17,22)
InChIKeyVEDNCFJZNSIBMZ-UHFFFAOYSA-N
MW313.75 g/mol
LogP2.25
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide

N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 9208938) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
PubChem CID9208938
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccccc1-n1cnnn1
InChIInChI=1S/C15H12ClN5O/c16-12-5-3-4-11(8-12)9-17-15(22)13-6-1-2-7-14(13)21-10-18-19-20-21/h1-8,10H,9H2,(H,17,22)
InChIKeyVEDNCFJZNSIBMZ-UHFFFAOYSA-N
XLogP2.25
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 28934785
N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51158739
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide
CID 110931289
2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-chlorophenyl)methyl]benzamide
CID 110121771
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(tetrazol-1-yl)benzamide
CID 110887488
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 39918772
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)benzamide
CID 24668798
N-[2-(6-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 56761302
4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 52901800
N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 86206831

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide (CID 9208938) is N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide is O=C(NCc1cccc(Cl)c1)c1ccccc1-n1cnnn1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is VEDNCFJZNSIBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c16-12-5-3-4-11(8-12)9-17-15(22)13-6-1-2-7-14(13)21-10-18-19-20-21/h1-8,10H,9H2,(H,17,22).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide?
N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 313.75 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 9208938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).