1-N-(4-cyclohexylphenyl)-4-N-(2H-tetrazol-5-yl)benzene-1,4-dicarboxamide

C21H22N6O2 — CID 22501855

IUPAC1-N-(4-cyclohexylphenyl)-4-N-(2H-tetrazol-5-yl)benzene-1,4-dicarboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)Nc2nn[nH]n2)cc1
InChIInChI=1S/C21H22N6O2/c28-19(22-18-12-10-15(11-13-18)14-4-2-1-3-5-14)16-6-8-17(9-7-16)20(29)23-21-24-26-27-25-21/h6-14H,1-5H2,(H,22,28)(H2,23,24,25,26,27,29)
InChIKeyLZHDPNZMBHMQAQ-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.75
Rot. Bonds5

About 1-N-(4-cyclohexylphenyl)-4-N-(2H-tetrazol-5-yl)benzene-1,4-dicarboxamide

1-N-(4-cyclohexylphenyl)-4-N-(2H-tetrazol-5-yl)benzene-1,4-dicarboxamide (PubChem CID 22501855) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 1-N-(4-cyclohexylphenyl)-4-N-(2H-tetrazol-5-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-cyclohexylphenyl)-4-N-(2H-tetrazol-5-yl)benzene-1,4-dicarboxamide
PubChem CID22501855
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name1-N-(4-cyclohexylphenyl)-4-N-(2H-tetrazol-5-yl)benzene-1,4-dicarboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)Nc2nn[nH]n2)cc1
InChIInChI=1S/C21H22N6O2/c28-19(22-18-12-10-15(11-13-18)14-4-2-1-3-5-14)16-6-8-17(9-7-16)20(29)23-21-24-26-27-25-21/h6-14H,1-5H2,(H,22,28)(H2,23,24,25,26,27,29)
InChIKeyLZHDPNZMBHMQAQ-UHFFFAOYSA-N
XLogP3.75
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyclohexylphenyl)-3-(3,4-dichlorophenyl)-1-[[4-(2H-tetrazol-5-ylcarbamoyl)phenyl]methyl]pyrazole-5-carboxamide
CID 11721429
4-[(4-cyclohexylphenyl)-[[4-(trifluoromethylsulfonyl)phenyl]carbamoylamino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 22502214
4-[(cyclohexylamino)methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 57246495
4-[[N-[(3-bromo-4-methylphenyl)carbamoyl]-4-cyclohexylanilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 23549801
N-(4-cyclohexylphenyl)benzamide
CID 10333838
4-[[N-[[3,5-bis(methylsulfonyl)phenyl]carbamoyl]-4-cyclohexylanilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 22501846
4-cyclopentyl-N-pyridin-4-ylbenzamide
CID 110464379
3-chloro-N-(4-cyclohexylphenyl)-N-[[4-(2H-tetrazol-5-ylcarbamoyl)phenyl]methyl]benzamide
CID 59117033
4-[[4-cyclohexyl-N-[(3,5-dichlorophenyl)methylcarbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 23549971
N-(4-cyclohexylphenyl)-1H-pyrazole-4-carboxamide
CID 110466735
4-[[4-cyclohexyl-N-[[(1R)-1-phenylethyl]carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 68907342
4-[(4-cyclohexyl-N-[2-(2,4-difluorophenyl)acetyl]anilino)methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 22502038

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-cyclohexylphenyl)-4-N-(2H-tetrazol-5-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-cyclohexylphenyl)-4-N-(2H-tetrazol-5-yl)benzene-1,4-dicarboxamide (CID 22501855) is 1-N-(4-cyclohexylphenyl)-4-N-(2H-tetrazol-5-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-cyclohexylphenyl)-4-N-(2H-tetrazol-5-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-cyclohexylphenyl)-4-N-(2H-tetrazol-5-yl)benzene-1,4-dicarboxamide is O=C(Nc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)Nc2nn[nH]n2)cc1.
What is the InChIKey of 1-N-(4-cyclohexylphenyl)-4-N-(2H-tetrazol-5-yl)benzene-1,4-dicarboxamide?
The InChIKey is LZHDPNZMBHMQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c28-19(22-18-12-10-15(11-13-18)14-4-2-1-3-5-14)16-6-8-17(9-7-16)20(29)23-21-24-26-27-25-21/h6-14H,1-5H2,(H,22,28)(H2,23,24,25,26,27,29).
What are the key properties of 1-N-(4-cyclohexylphenyl)-4-N-(2H-tetrazol-5-yl)benzene-1,4-dicarboxamide?
1-N-(4-cyclohexylphenyl)-4-N-(2H-tetrazol-5-yl)benzene-1,4-dicarboxamide has a molecular weight of 390.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-cyclohexylphenyl)-4-N-(2H-tetrazol-5-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 22501855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).