3-(3-methylphenyl)-N-[(1R,3S)-3-(2H-tetrazol-5-yl)cyclopentyl]benzamide

C20H21N5O — CID 166320542

IUPAC3-(3-methylphenyl)-N-[(1R,3S)-3-(2H-tetrazol-5-yl)cyclopentyl]benzamide
SMILESCc1cccc(-c2cccc(C(=O)N[C@@H]3CC[C@H](c4nn[nH]n4)C3)c2)c1
InChIInChI=1S/C20H21N5O/c1-13-4-2-5-14(10-13)15-6-3-7-17(11-15)20(26)21-18-9-8-16(12-18)19-22-24-25-23-19/h2-7,10-11,16,18H,8-9,12H2,1H3,(H,21,26)(H,22,23,24,25)/t16-,18+/m0/s1
InChIKeyYLRCFYRFMHJVKT-FUHWJXTLSA-N
MW347.42 g/mol
LogP3.24
Rot. Bonds4

About 3-(3-methylphenyl)-N-[(1R,3S)-3-(2H-tetrazol-5-yl)cyclopentyl]benzamide

3-(3-methylphenyl)-N-[(1R,3S)-3-(2H-tetrazol-5-yl)cyclopentyl]benzamide (PubChem CID 166320542) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[(1R,3S)-3-(2H-tetrazol-5-yl)cyclopentyl]benzamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[(1R,3S)-3-(2H-tetrazol-5-yl)cyclopentyl]benzamide
PubChem CID166320542
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name3-(3-methylphenyl)-N-[(1R,3S)-3-(2H-tetrazol-5-yl)cyclopentyl]benzamide
SMILESCc1cccc(-c2cccc(C(=O)N[C@@H]3CC[C@H](c4nn[nH]n4)C3)c2)c1
InChIInChI=1S/C20H21N5O/c1-13-4-2-5-14(10-13)15-6-3-7-17(11-15)20(26)21-18-9-8-16(12-18)19-22-24-25-23-19/h2-7,10-11,16,18H,8-9,12H2,1H3,(H,21,26)(H,22,23,24,25)/t16-,18+/m0/s1
InChIKeyYLRCFYRFMHJVKT-FUHWJXTLSA-N
XLogP3.24
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3R)-3-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675656
3-methyl-N-(3-methylcyclopentyl)benzamide
CID 114550136
7-methyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide
CID 166312546
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide
CID 95741050
N-(4-bromocyclohexyl)-3-methylbenzamide
CID 114309120
N-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50778643
N-(azetidin-3-yl)-3-methylbenzamide
CID 66186058
N-cyclooctyl-3-methylbenzamide
CID 966011
N-[(1R,2R)-2-hydroxycyclohexyl]-3-(2H-tetrazol-5-yl)benzamide
CID 102739177
N-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide
CID 28658973
N-cyclopropyl-3-[[4-[3-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]amino]-4-methylbenzamide
CID 141106921
3-methyl-N-piperidin-1-ium-4-ylbenzamide
CID 7412122

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[(1R,3S)-3-(2H-tetrazol-5-yl)cyclopentyl]benzamide?
The IUPAC name of 3-(3-methylphenyl)-N-[(1R,3S)-3-(2H-tetrazol-5-yl)cyclopentyl]benzamide (CID 166320542) is 3-(3-methylphenyl)-N-[(1R,3S)-3-(2H-tetrazol-5-yl)cyclopentyl]benzamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-[(1R,3S)-3-(2H-tetrazol-5-yl)cyclopentyl]benzamide?
The canonical SMILES for 3-(3-methylphenyl)-N-[(1R,3S)-3-(2H-tetrazol-5-yl)cyclopentyl]benzamide is Cc1cccc(-c2cccc(C(=O)N[C@@H]3CC[C@H](c4nn[nH]n4)C3)c2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[(1R,3S)-3-(2H-tetrazol-5-yl)cyclopentyl]benzamide?
The InChIKey is YLRCFYRFMHJVKT-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13-4-2-5-14(10-13)15-6-3-7-17(11-15)20(26)21-18-9-8-16(12-18)19-22-24-25-23-19/h2-7,10-11,16,18H,8-9,12H2,1H3,(H,21,26)(H,22,23,24,25)/t16-,18+/m0/s1.
What are the key properties of 3-(3-methylphenyl)-N-[(1R,3S)-3-(2H-tetrazol-5-yl)cyclopentyl]benzamide?
3-(3-methylphenyl)-N-[(1R,3S)-3-(2H-tetrazol-5-yl)cyclopentyl]benzamide has a molecular weight of 347.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[(1R,3S)-3-(2H-tetrazol-5-yl)cyclopentyl]benzamide is sourced from PubChem (CID 166320542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).