2,3-dichloro-N-[(S)-phenyl-[(2S)-1-prop-2-enylpiperidin-2-yl]methyl]benzamide

C22H24Cl2N2O — CID 67165261

IUPAC2,3-dichloro-N-[(S)-phenyl-[(2S)-1-prop-2-enylpiperidin-2-yl]methyl]benzamide
SMILESC=CCN1CCCC[C@H]1[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C22H24Cl2N2O/c1-2-14-26-15-7-6-13-19(26)21(16-9-4-3-5-10-16)25-22(27)17-11-8-12-18(23)20(17)24/h2-5,8-12,19,21H,1,6-7,13-15H2,(H,25,27)/t19-,21-/m0/s1
InChIKeyXCPSOJPWIPRXMP-FPOVZHCZSA-N
MW403.35 g/mol
LogP5.51
Rot. Bonds6

About 2,3-dichloro-N-[(S)-phenyl-[(2S)-1-prop-2-enylpiperidin-2-yl]methyl]benzamide

2,3-dichloro-N-[(S)-phenyl-[(2S)-1-prop-2-enylpiperidin-2-yl]methyl]benzamide (PubChem CID 67165261) has the molecular formula C22H24Cl2N2O and a molecular weight of 403.35 g/mol. Its IUPAC name is 2,3-dichloro-N-[(S)-phenyl-[(2S)-1-prop-2-enylpiperidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(S)-phenyl-[(2S)-1-prop-2-enylpiperidin-2-yl]methyl]benzamide
PubChem CID67165261
Molecular FormulaC22H24Cl2N2O
Molecular Weight403.35 g/mol
Exact Mass402.13
IUPAC Name2,3-dichloro-N-[(S)-phenyl-[(2S)-1-prop-2-enylpiperidin-2-yl]methyl]benzamide
SMILESC=CCN1CCCC[C@H]1[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C22H24Cl2N2O/c1-2-14-26-15-7-6-13-19(26)21(16-9-4-3-5-10-16)25-22(27)17-11-8-12-18(23)20(17)24/h2-5,8-12,19,21H,1,6-7,13-15H2,(H,25,27)/t19-,21-/m0/s1
InChIKeyXCPSOJPWIPRXMP-FPOVZHCZSA-N
XLogP5.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.35
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,3-dichloro-N-[(S)-phenyl-[(2S)-1-prop-2-enylpiperidin-2-yl]methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[phenyl-(1-prop-2-enylpiperidin-2-yl)methyl]benzamide
CID 68572281
2,3-dichloro-N-[(S)-[(2S)-1-methylazepan-2-yl]-phenylmethyl]benzamide
CID 129152159
[5-[[[2-chloro-3-(trifluoromethyl)benzoyl]amino]-[(2S)-1-prop-2-enylpiperidin-2-yl]methyl]-2-methylphenyl] trifluoromethanesulfonate
CID 87727288
N-[2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl(phenyl)methyl]-2-chloro-3-methoxybenzamide
CID 68855859
N-[(R)-[(3R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]-phenylmethyl]-2-chloro-3-(trifluoromethyl)benzamide;hydrochloride
CID 24762225
2,3-dichloro-N-[(1S)-2-(2-methylpyrrolidin-1-yl)-1-phenylethyl]benzamide;2,4-dichloro-N-[(1S)-2-(2-methylpyrrolidin-1-yl)-1-phenylethyl]benzamide;2,3,5-trichloro-N-[(1S)-2-(2-methylpyrrolidin-1-yl)-1-phenylethyl]benzamide
CID 87709085
2,5-dichloro-N-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]thiophene-3-carboxamide
CID 11339141
2-chloro-N-[2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl(phenyl)methyl]-3-(trifluoromethyl)benzamide
CID 24984765
2-chloro-N-[(S)-[(2R,6R)-1,6-dimethylpiperidin-2-yl]-phenylmethyl]-3-(trifluoromethyl)benzamide
CID 11998344
3-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]benzamide
CID 103982987
2,3-dichloro-N-[(S)-(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]benzamide
CID 25207067
4-amino-3,5-dichloro-N-[(R)-[(2R)-1-methylpiperidin-2-yl]-phenylmethyl]benzamide;hydrochloride
CID 67165144

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(S)-phenyl-[(2S)-1-prop-2-enylpiperidin-2-yl]methyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[(S)-phenyl-[(2S)-1-prop-2-enylpiperidin-2-yl]methyl]benzamide (CID 67165261) is 2,3-dichloro-N-[(S)-phenyl-[(2S)-1-prop-2-enylpiperidin-2-yl]methyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[(S)-phenyl-[(2S)-1-prop-2-enylpiperidin-2-yl]methyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[(S)-phenyl-[(2S)-1-prop-2-enylpiperidin-2-yl]methyl]benzamide is C=CCN1CCCC[C@H]1[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of 2,3-dichloro-N-[(S)-phenyl-[(2S)-1-prop-2-enylpiperidin-2-yl]methyl]benzamide?
The InChIKey is XCPSOJPWIPRXMP-FPOVZHCZSA-N. The full InChI is InChI=1S/C22H24Cl2N2O/c1-2-14-26-15-7-6-13-19(26)21(16-9-4-3-5-10-16)25-22(27)17-11-8-12-18(23)20(17)24/h2-5,8-12,19,21H,1,6-7,13-15H2,(H,25,27)/t19-,21-/m0/s1.
What are the key properties of 2,3-dichloro-N-[(S)-phenyl-[(2S)-1-prop-2-enylpiperidin-2-yl]methyl]benzamide?
2,3-dichloro-N-[(S)-phenyl-[(2S)-1-prop-2-enylpiperidin-2-yl]methyl]benzamide has a molecular weight of 403.35 g/mol, XLogP of 5.51, 6 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)-phenyl-[(2S)-1-prop-2-enylpiperidin-2-yl]methyl]benzamide is sourced from PubChem (CID 67165261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).