2,3-dichloro-N-[(R)-(2,5-dimethylpiperidin-2-yl)-phenylmethyl]benzamide

C21H24Cl2N2O — CID 70272096

IUPAC2,3-dichloro-N-[(R)-(2,5-dimethylpiperidin-2-yl)-phenylmethyl]benzamide
SMILESCC1CCC(C)([C@H](NC(=O)c2cccc(Cl)c2Cl)c2ccccc2)NC1
InChIInChI=1S/C21H24Cl2N2O/c1-14-11-12-21(2,24-13-14)19(15-7-4-3-5-8-15)25-20(26)16-9-6-10-17(22)18(16)23/h3-10,14,19,24H,11-13H2,1-2H3,(H,25,26)/t14?,19-,21?/m1/s1
InChIKeyCZNBVJHUFSOCOG-XGMGDGQCSA-N
MW391.34 g/mol
LogP5.24
Rot. Bonds4

About 2,3-dichloro-N-[(R)-(2,5-dimethylpiperidin-2-yl)-phenylmethyl]benzamide

2,3-dichloro-N-[(R)-(2,5-dimethylpiperidin-2-yl)-phenylmethyl]benzamide (PubChem CID 70272096) has the molecular formula C21H24Cl2N2O and a molecular weight of 391.34 g/mol. Its IUPAC name is 2,3-dichloro-N-[(R)-(2,5-dimethylpiperidin-2-yl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(R)-(2,5-dimethylpiperidin-2-yl)-phenylmethyl]benzamide
PubChem CID70272096
Molecular FormulaC21H24Cl2N2O
Molecular Weight391.34 g/mol
Exact Mass390.13
IUPAC Name2,3-dichloro-N-[(R)-(2,5-dimethylpiperidin-2-yl)-phenylmethyl]benzamide
SMILESCC1CCC(C)([C@H](NC(=O)c2cccc(Cl)c2Cl)c2ccccc2)NC1
InChIInChI=1S/C21H24Cl2N2O/c1-14-11-12-21(2,24-13-14)19(15-7-4-3-5-8-15)25-20(26)16-9-6-10-17(22)18(16)23/h3-10,14,19,24H,11-13H2,1-2H3,(H,25,26)/t14?,19-,21?/m1/s1
InChIKeyCZNBVJHUFSOCOG-XGMGDGQCSA-N
XLogP5.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.34
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(R)-(2,5-dimethylpiperidin-2-yl)-phenylmethyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[(R)-(2,5-dimethylpiperidin-2-yl)-phenylmethyl]benzamide (CID 70272096) is 2,3-dichloro-N-[(R)-(2,5-dimethylpiperidin-2-yl)-phenylmethyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[(R)-(2,5-dimethylpiperidin-2-yl)-phenylmethyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[(R)-(2,5-dimethylpiperidin-2-yl)-phenylmethyl]benzamide is CC1CCC(C)([C@H](NC(=O)c2cccc(Cl)c2Cl)c2ccccc2)NC1.
What is the InChIKey of 2,3-dichloro-N-[(R)-(2,5-dimethylpiperidin-2-yl)-phenylmethyl]benzamide?
The InChIKey is CZNBVJHUFSOCOG-XGMGDGQCSA-N. The full InChI is InChI=1S/C21H24Cl2N2O/c1-14-11-12-21(2,24-13-14)19(15-7-4-3-5-8-15)25-20(26)16-9-6-10-17(22)18(16)23/h3-10,14,19,24H,11-13H2,1-2H3,(H,25,26)/t14?,19-,21?/m1/s1.
What are the key properties of 2,3-dichloro-N-[(R)-(2,5-dimethylpiperidin-2-yl)-phenylmethyl]benzamide?
2,3-dichloro-N-[(R)-(2,5-dimethylpiperidin-2-yl)-phenylmethyl]benzamide has a molecular weight of 391.34 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(R)-(2,5-dimethylpiperidin-2-yl)-phenylmethyl]benzamide is sourced from PubChem (CID 70272096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).