3,4-dichloro-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide

C30H32Cl2N2O — CID 91312760

IUPAC3,4-dichloro-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
SMILESO=C(c1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CCN(C2CCCCC2c2ccccc2)CC1
InChIInChI=1S/C30H32Cl2N2O/c31-27-16-15-23(21-28(27)32)30(35)34(24-11-5-2-6-12-24)25-17-19-33(20-18-25)29-14-8-7-13-26(29)22-9-3-1-4-10-22/h1-6,9-12,15-16,21,25-26,29H,7-8,13-14,17-20H2
InChIKeyUSXVPZGFFVOTTC-UHFFFAOYSA-N
MW507.51 g/mol
LogP7.83
Rot. Bonds5

About 3,4-dichloro-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide

3,4-dichloro-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide (PubChem CID 91312760) has the molecular formula C30H32Cl2N2O and a molecular weight of 507.51 g/mol. Its IUPAC name is 3,4-dichloro-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
PubChem CID91312760
Molecular FormulaC30H32Cl2N2O
Molecular Weight507.51 g/mol
Exact Mass506.19
IUPAC Name3,4-dichloro-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
SMILESO=C(c1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CCN(C2CCCCC2c2ccccc2)CC1
InChIInChI=1S/C30H32Cl2N2O/c31-27-16-15-23(21-28(27)32)30(35)34(24-11-5-2-6-12-24)25-17-19-33(20-18-25)29-14-8-7-13-26(29)22-9-3-1-4-10-22/h1-6,9-12,15-16,21,25-26,29H,7-8,13-14,17-20H2
InChIKeyUSXVPZGFFVOTTC-UHFFFAOYSA-N
XLogP7.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.51
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91128636
N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide
CID 91480833
N-(4-chlorophenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91353172
N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 91233195
N-(3,5-dimethylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91468186
2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91172689
3-methoxy-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91125540
3-methoxy-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91137183
N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 90736407
N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]-3H-dioxole-5-carboxamide
CID 87949376
5-chloro-N-[3-(dimethylamino)phenyl]-1-methyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 91391061
3,4-dichloro-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide
CID 90709522

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide (CID 91312760) is 3,4-dichloro-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide is O=C(c1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CCN(C2CCCCC2c2ccccc2)CC1.
What is the InChIKey of 3,4-dichloro-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
The InChIKey is USXVPZGFFVOTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32Cl2N2O/c31-27-16-15-23(21-28(27)32)30(35)34(24-11-5-2-6-12-24)25-17-19-33(20-18-25)29-14-8-7-13-26(29)22-9-3-1-4-10-22/h1-6,9-12,15-16,21,25-26,29H,7-8,13-14,17-20H2.
What are the key properties of 3,4-dichloro-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide?
3,4-dichloro-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide has a molecular weight of 507.51 g/mol, XLogP of 7.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 91312760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).