N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide

C23H21N5O — CID 26881046

IUPACN-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C23H21N5O/c29-23(20-12-7-13-21(16-20)28-17-25-26-27-28)24-15-14-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,16-17,22H,14-15H2,(H,24,29)
InChIKeyCBKSIFFGVHPQPW-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.61
Rot. Bonds7

About N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide

N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide (PubChem CID 26881046) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide
PubChem CID26881046
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C23H21N5O/c29-23(20-12-7-13-21(16-20)28-17-25-26-27-28)24-15-14-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,16-17,22H,14-15H2,(H,24,29)
InChIKeyCBKSIFFGVHPQPW-UHFFFAOYSA-N
XLogP3.61
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide
CID 93240510
3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide
CID 34812905
N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide
CID 33134269
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3-diphenylpropyl)-5-(tetrazol-1-yl)benzamide
CID 26282947
tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate
CID 51095808
N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 42535237
N-[(1-phenylcyclopropyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51317271
N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide
CID 39483104
N-(cyclohexylmethyl)-3-(tetrazol-1-yl)benzamide
CID 42997884
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 43072487
N-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 120653140

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide (CID 26881046) is N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide is O=C(NCCC(c1ccccc1)c1ccccc1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is CBKSIFFGVHPQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c29-23(20-12-7-13-21(16-20)28-17-25-26-27-28)24-15-14-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,16-17,22H,14-15H2,(H,24,29).
What are the key properties of N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide?
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 383.46 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 26881046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).