2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide

C21H25ClN2O — CID 99994165

IUPAC2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
SMILESCC1CCN(c2ccc([C@H](C)NC(=O)c3ccccc3Cl)cc2)CC1
InChIInChI=1S/C21H25ClN2O/c1-15-11-13-24(14-12-15)18-9-7-17(8-10-18)16(2)23-21(25)19-5-3-4-6-20(19)22/h3-10,15-16H,11-14H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyOQACPXAYFSGNHO-INIZCTEOSA-N
MW356.90 g/mol
LogP5.07
Rot. Bonds4

About 2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide

2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide (PubChem CID 99994165) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
PubChem CID99994165
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
SMILESCC1CCN(c2ccc([C@H](C)NC(=O)c3ccccc3Cl)cc2)CC1
InChIInChI=1S/C21H25ClN2O/c1-15-11-13-24(14-12-15)18-9-7-17(8-10-18)16(2)23-21(25)19-5-3-4-6-20(19)22/h3-10,15-16H,11-14H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyOQACPXAYFSGNHO-INIZCTEOSA-N
XLogP5.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.90
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-methylsulfanylbenzamide
CID 132655322
2-chloro-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 110244400
2-benzylsulfanyl-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 132673259
(E)-3-(2-chlorophenyl)-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]prop-2-enamide
CID 99996071
2,4,5-trimethyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 100711058
1-(2-chlorophenyl)-3-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]thiourea
CID 100712186
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-chloro-N-[5-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 133185016
2,4-dichloro-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 132659437
2,4-dichloro-N-[(1S)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 99994549
1-benzyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]piperidine-4-carboxamide
CID 94013631

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide (CID 99994165) is 2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide is CC1CCN(c2ccc([C@H](C)NC(=O)c3ccccc3Cl)cc2)CC1.
What is the InChIKey of 2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide?
The InChIKey is OQACPXAYFSGNHO-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-15-11-13-24(14-12-15)18-9-7-17(8-10-18)16(2)23-21(25)19-5-3-4-6-20(19)22/h3-10,15-16H,11-14H2,1-2H3,(H,23,25)/t16-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide?
2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide has a molecular weight of 356.90 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 99994165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).