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

C18H17N5O — CID 51317271

IUPACN-[(1-phenylcyclopropyl)methyl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H17N5O/c24-17(14-5-4-8-16(11-14)23-13-20-21-22-23)19-12-18(9-10-18)15-6-2-1-3-7-15/h1-8,11,13H,9-10,12H2,(H,19,24)
InChIKeyXKXMVIPMFLFLFM-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.12
Rot. Bonds5

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

N-[(1-phenylcyclopropyl)methyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 51317271) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[(1-phenylcyclopropyl)methyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1-phenylcyclopropyl)methyl]-3-(tetrazol-1-yl)benzamide
PubChem CID51317271
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-[(1-phenylcyclopropyl)methyl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H17N5O/c24-17(14-5-4-8-16(11-14)23-13-20-21-22-23)19-12-18(9-10-18)15-6-2-1-3-7-15/h1-8,11,13H,9-10,12H2,(H,19,24)
InChIKeyXKXMVIPMFLFLFM-UHFFFAOYSA-N
XLogP2.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[(1-phenylcyclopropyl)methyl]-4-(tetrazol-1-yl)benzamide
CID 46408400
N-(1-phenylcyclobutyl)-3-(tetrazol-1-yl)benzamide
CID 51273111
N-[(4-phenyloxan-4-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 70725146
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide
CID 26881046
3-(2-oxopyrrolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51317766
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 4-(tetrazol-1-yl)benzoate
CID 31452805
N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide
CID 93240510
N-(cyclohexylmethyl)-3-(tetrazol-1-yl)benzamide
CID 42997884
N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide
CID 33134269
3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 31002678
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclopropyl)methyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(1-phenylcyclopropyl)methyl]-3-(tetrazol-1-yl)benzamide (CID 51317271) is N-[(1-phenylcyclopropyl)methyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(1-phenylcyclopropyl)methyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(1-phenylcyclopropyl)methyl]-3-(tetrazol-1-yl)benzamide is O=C(NCC1(c2ccccc2)CC1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[(1-phenylcyclopropyl)methyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is XKXMVIPMFLFLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c24-17(14-5-4-8-16(11-14)23-13-20-21-22-23)19-12-18(9-10-18)15-6-2-1-3-7-15/h1-8,11,13H,9-10,12H2,(H,19,24).
What are the key properties of N-[(1-phenylcyclopropyl)methyl]-3-(tetrazol-1-yl)benzamide?
N-[(1-phenylcyclopropyl)methyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 319.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclopropyl)methyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 51317271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).