N-phenyl-N-[1-(phenylcarbamoyl)cyclohexyl]-4-(tetrazol-1-yl)benzamide

C27H26N6O2 — CID 45267412

IUPACN-phenyl-N-[1-(phenylcarbamoyl)cyclohexyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(c1ccc(-n2cnnn2)cc1)N(c1ccccc1)C1(C(=O)Nc2ccccc2)CCCCC1
InChIInChI=1S/C27H26N6O2/c34-25(21-14-16-23(17-15-21)32-20-28-30-31-32)33(24-12-6-2-7-13-24)27(18-8-3-9-19-27)26(35)29-22-10-4-1-5-11-22/h1-2,4-7,10-17,20H,3,8-9,18-19H2,(H,29,35)
InChIKeyQHOIZHYIPMMLIC-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.65
Rot. Bonds6

About N-phenyl-N-[1-(phenylcarbamoyl)cyclohexyl]-4-(tetrazol-1-yl)benzamide

N-phenyl-N-[1-(phenylcarbamoyl)cyclohexyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 45267412) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is N-phenyl-N-[1-(phenylcarbamoyl)cyclohexyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-phenyl-N-[1-(phenylcarbamoyl)cyclohexyl]-4-(tetrazol-1-yl)benzamide
PubChem CID45267412
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC NameN-phenyl-N-[1-(phenylcarbamoyl)cyclohexyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(c1ccc(-n2cnnn2)cc1)N(c1ccccc1)C1(C(=O)Nc2ccccc2)CCCCC1
InChIInChI=1S/C27H26N6O2/c34-25(21-14-16-23(17-15-21)32-20-28-30-31-32)33(24-12-6-2-7-13-24)27(18-8-3-9-19-27)26(35)29-22-10-4-1-5-11-22/h1-2,4-7,10-17,20H,3,8-9,18-19H2,(H,29,35)
InChIKeyQHOIZHYIPMMLIC-UHFFFAOYSA-N
XLogP4.65
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-phenyl-N-[1-(phenylcarbamoyl)cyclohexyl]-4-(tetrazol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[1-(phenylcarbamoyl)cyclohexyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-phenyl-N-[1-(phenylcarbamoyl)cyclohexyl]-4-(tetrazol-1-yl)benzamide (CID 45267412) is N-phenyl-N-[1-(phenylcarbamoyl)cyclohexyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-phenyl-N-[1-(phenylcarbamoyl)cyclohexyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-phenyl-N-[1-(phenylcarbamoyl)cyclohexyl]-4-(tetrazol-1-yl)benzamide is O=C(c1ccc(-n2cnnn2)cc1)N(c1ccccc1)C1(C(=O)Nc2ccccc2)CCCCC1.
What is the InChIKey of N-phenyl-N-[1-(phenylcarbamoyl)cyclohexyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is QHOIZHYIPMMLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c34-25(21-14-16-23(17-15-21)32-20-28-30-31-32)33(24-12-6-2-7-13-24)27(18-8-3-9-19-27)26(35)29-22-10-4-1-5-11-22/h1-2,4-7,10-17,20H,3,8-9,18-19H2,(H,29,35).
What are the key properties of N-phenyl-N-[1-(phenylcarbamoyl)cyclohexyl]-4-(tetrazol-1-yl)benzamide?
N-phenyl-N-[1-(phenylcarbamoyl)cyclohexyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 466.55 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[1-(phenylcarbamoyl)cyclohexyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 45267412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).