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

C15H12ClN5O — CID 51158739

IUPACN-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1cccc(Cl)c1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H12ClN5O/c16-13-5-1-3-11(7-13)9-17-15(22)12-4-2-6-14(8-12)21-10-18-19-20-21/h1-8,10H,9H2,(H,17,22)
InChIKeyKZEINFVNPKHESM-UHFFFAOYSA-N
MW313.75 g/mol
LogP2.25
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 51158739) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
PubChem CID51158739
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC NameN-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1cccc(Cl)c1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H12ClN5O/c16-13-5-1-3-11(7-13)9-17-15(22)12-4-2-6-14(8-12)21-10-18-19-20-21/h1-8,10H,9H2,(H,17,22)
InChIKeyKZEINFVNPKHESM-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-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 9208938
N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide
CID 39192608
N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
CID 43010400
N-(1,3-benzodioxol-5-ylmethyl)-3-(tetrazol-1-yl)benzamide
CID 26911241
3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide
CID 34812905
N-[(5-bromo-2-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 46460818
N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide
CID 16648846
N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)-3-(tetrazol-1-yl)benzamide
CID 90569406
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787
N-(cyclohexylmethyl)-3-(tetrazol-1-yl)benzamide
CID 42997884
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide
CID 26881046
3-(tetrazol-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 34554477

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide (CID 51158739) is N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide is O=C(NCc1cccc(Cl)c1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is KZEINFVNPKHESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c16-13-5-1-3-11(7-13)9-17-15(22)12-4-2-6-14(8-12)21-10-18-19-20-21/h1-8,10H,9H2,(H,17,22).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide?
N-[(3-chlorophenyl)methyl]-3-(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]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 51158739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).