N-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane

C25H29N5O — CID 91351854

IUPACN-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane
SMILESCC.CC.O=C(NCc1ccccc1)c1cc(-c2ccccc2)cc(-n2cnnn2)c1
InChIInChI=1S/C21H17N5O.2C2H6/c27-21(22-14-16-7-3-1-4-8-16)19-11-18(17-9-5-2-6-10-17)12-20(13-19)26-15-23-24-25-26;2*1-2/h1-13,15H,14H2,(H,22,27);2*1-2H3
InChIKeyWMJCWZRQPJRUAW-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.31
Rot. Bonds5

About N-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane

N-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane (PubChem CID 91351854) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is N-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane.

Molecular Properties

Compound NameN-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane
PubChem CID91351854
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC NameN-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane
SMILESCC.CC.O=C(NCc1ccccc1)c1cc(-c2ccccc2)cc(-n2cnnn2)c1
InChIInChI=1S/C21H17N5O.2C2H6/c27-21(22-14-16-7-3-1-4-8-16)19-11-18(17-9-5-2-6-10-17)12-20(13-19)26-15-23-24-25-26;2*1-2/h1-13,15H,14H2,(H,22,27);2*1-2H3
InChIKeyWMJCWZRQPJRUAW-UHFFFAOYSA-N
XLogP5.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252950
3-(3-phenylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 118760169
N-[(2,3-dimethoxyphenyl)methyl]-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 42212306
N-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 76642992
N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide
CID 39192608
N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51158739
N-[(3,5-dimethoxyphenyl)methyl]-3-quinolin-8-yl-5-(tetrazol-1-yl)benzamide
CID 26326986
3-(3-methylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 118759932
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide
CID 32651524
N-benzyl-3-(4-fluorophenyl)-5-[1-(4-fluorophenyl)triazol-4-yl]benzamide
CID 166398637
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 24889642
3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 129154966

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane?
The IUPAC name of N-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane (CID 91351854) is N-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane.
What is the SMILES notation for N-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane?
The canonical SMILES for N-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane is CC.CC.O=C(NCc1ccccc1)c1cc(-c2ccccc2)cc(-n2cnnn2)c1.
What is the InChIKey of N-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane?
The InChIKey is WMJCWZRQPJRUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O.2C2H6/c27-21(22-14-16-7-3-1-4-8-16)19-11-18(17-9-5-2-6-10-17)12-20(13-19)26-15-23-24-25-26;2*1-2/h1-13,15H,14H2,(H,22,27);2*1-2H3.
What are the key properties of N-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane?
N-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane has a molecular weight of 415.54 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane is sourced from PubChem (CID 91351854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).