2,3-dichloro-N-[(S)-(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]benzamide

C23H28Cl2N2O — CID 25207067

IUPAC2,3-dichloro-N-[(S)-(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]benzamide
SMILESCCC1CCC(C)([C@@H](NC(=O)c2cccc(Cl)c2Cl)c2ccccc2)N(C)C1
InChIInChI=1S/C23H28Cl2N2O/c1-4-16-13-14-23(2,27(3)15-16)21(17-9-6-5-7-10-17)26-22(28)18-11-8-12-19(24)20(18)25/h5-12,16,21H,4,13-15H2,1-3H3,(H,26,28)/t16?,21-,23?/m0/s1
InChIKeySQCOHUWZNXRJPO-JCVMYPOKSA-N
MW419.40 g/mol
LogP5.97
Rot. Bonds5

About 2,3-dichloro-N-[(S)-(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]benzamide

2,3-dichloro-N-[(S)-(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]benzamide (PubChem CID 25207067) has the molecular formula C23H28Cl2N2O and a molecular weight of 419.40 g/mol. Its IUPAC name is 2,3-dichloro-N-[(S)-(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(S)-(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]benzamide
PubChem CID25207067
Molecular FormulaC23H28Cl2N2O
Molecular Weight419.40 g/mol
Exact Mass418.16
IUPAC Name2,3-dichloro-N-[(S)-(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]benzamide
SMILESCCC1CCC(C)([C@@H](NC(=O)c2cccc(Cl)c2Cl)c2ccccc2)N(C)C1
InChIInChI=1S/C23H28Cl2N2O/c1-4-16-13-14-23(2,27(3)15-16)21(17-9-6-5-7-10-17)26-22(28)18-11-8-12-19(24)20(18)25/h5-12,16,21H,4,13-15H2,1-3H3,(H,26,28)/t16?,21-,23?/m0/s1
InChIKeySQCOHUWZNXRJPO-JCVMYPOKSA-N
XLogP5.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.40
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]-2-methoxybenzamide
CID 25207213
2-chloro-N-[(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]-5-(trifluoromethyl)benzamide
CID 25206245
2-chloro-N-[(R)-phenyl-(1,2,5-trimethylpiperidin-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 71039000
2,4-dichloro-N-[(R)-phenyl-(1,2,5-trimethylpiperidin-2-yl)methyl]benzamide
CID 70269882
2,3-dichloro-N-[(R)-(2,5-dimethylpiperidin-2-yl)-phenylmethyl]benzamide
CID 70272096
2-chloro-N-[(1,2-dimethylpiperidin-2-yl)-phenylmethyl]-3-(trifluoromethyl)benzamide
CID 68502805
2,3-dichloro-N-[(S)-[(2S)-1-methylazepan-2-yl]-phenylmethyl]benzamide
CID 129152159
3-cyclopropyl-3-[(2,3-dichlorobenzoyl)amino]propanoic acid
CID 81362646
2,3-dichloro-N-[(S)-phenyl-[(2S)-1-prop-2-enylpiperidin-2-yl]methyl]benzamide
CID 67165261
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119412842
2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide
CID 69279489
2-chloro-3-(fluoromethyl)-N-[[1-(methylamino)cyclopentyl]-phenylmethyl]benzamide
CID 70326296

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(S)-(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[(S)-(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]benzamide (CID 25207067) is 2,3-dichloro-N-[(S)-(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[(S)-(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[(S)-(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]benzamide is CCC1CCC(C)([C@@H](NC(=O)c2cccc(Cl)c2Cl)c2ccccc2)N(C)C1.
What is the InChIKey of 2,3-dichloro-N-[(S)-(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]benzamide?
The InChIKey is SQCOHUWZNXRJPO-JCVMYPOKSA-N. The full InChI is InChI=1S/C23H28Cl2N2O/c1-4-16-13-14-23(2,27(3)15-16)21(17-9-6-5-7-10-17)26-22(28)18-11-8-12-19(24)20(18)25/h5-12,16,21H,4,13-15H2,1-3H3,(H,26,28)/t16?,21-,23?/m0/s1.
What are the key properties of 2,3-dichloro-N-[(S)-(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]benzamide?
2,3-dichloro-N-[(S)-(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]benzamide has a molecular weight of 419.40 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(S)-(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]benzamide is sourced from PubChem (CID 25207067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).