N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide

C20H21N5O — CID 30295477

IUPACN-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide
SMILESO=C(NCc1nnnn1C1CCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H21N5O/c26-20(17-12-10-16(11-13-17)15-6-2-1-3-7-15)21-14-19-22-23-24-25(19)18-8-4-5-9-18/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,26)
InChIKeyFVJWFCLPVAUCOE-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.39
Rot. Bonds5

About N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide

N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide (PubChem CID 30295477) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide
PubChem CID30295477
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide
SMILESO=C(NCc1nnnn1C1CCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H21N5O/c26-20(17-12-10-16(11-13-17)15-6-2-1-3-7-15)21-14-19-22-23-24-25(19)18-8-4-5-9-18/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,26)
InChIKeyFVJWFCLPVAUCOE-UHFFFAOYSA-N
XLogP3.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295393
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide
CID 30295335
3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295389
N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-diethoxybenzamide
CID 30295362
N-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide
CID 30295231
N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 30295463
N,N-dimethyl-5-[[(4-phenylbenzoyl)amino]methyl]tetrazole-1-carboxamide
CID 24795719
N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide
CID 30295250
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide
CID 16799246
N-[(1-cyclopropyltetrazol-5-yl)methyl]-3-(dimethylamino)benzamide
CID 71989611
N-[(1-cyclohexyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine
CID 57399061
N-benzyl-3-[(1-cyclobutyltetrazol-5-yl)methoxy]benzamide
CID 167886841

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide?
The IUPAC name of N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide (CID 30295477) is N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide?
The canonical SMILES for N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide is O=C(NCc1nnnn1C1CCCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide?
The InChIKey is FVJWFCLPVAUCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(17-12-10-16(11-13-17)15-6-2-1-3-7-15)21-14-19-22-23-24-25(19)18-8-4-5-9-18/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,26).
What are the key properties of N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide?
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide has a molecular weight of 347.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide is sourced from PubChem (CID 30295477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).