4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide

C17H19ClN2O — CID 8936052

IUPAC4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
SMILESCN(C)C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-20(2)12-16(13-6-4-3-5-7-13)19-17(21)14-8-10-15(18)11-9-14/h3-11,16H,12H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyMAHXGOBADMQJJL-INIZCTEOSA-N
MW302.81 g/mol
LogP3.37
Rot. Bonds5

About 4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide

4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide (PubChem CID 8936052) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
PubChem CID8936052
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
SMILESCN(C)C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-20(2)12-16(13-6-4-3-5-7-13)19-17(21)14-8-10-15(18)11-9-14/h3-11,16H,12H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyMAHXGOBADMQJJL-INIZCTEOSA-N
XLogP3.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
4-chloro-N-[4-[[2-(dimethylamino)-1-phenylethyl]amino]-4-oxobutyl]benzamide
CID 86909670
4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936275
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(dimethylsulfamoyl)benzamide
CID 8936839
1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 78881674
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-phenylmethoxybenzamide
CID 8937208
5-(4-chlorophenyl)-N-[2-(dimethylamino)-1-phenylethyl]furan-2-carboxamide
CID 24504342
2-chloro-N-[2-(dimethylamino)-1-phenylethyl]furan-3-carboxamide
CID 106686543
N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]furan-3-carboxamide
CID 124872786
4-chloro-N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]benzamide
CID 11024937
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 8937300
2-(4-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide
CID 8936319

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide?
The IUPAC name of 4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide (CID 8936052) is 4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide is CN(C)C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide?
The InChIKey is MAHXGOBADMQJJL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-20(2)12-16(13-6-4-3-5-7-13)19-17(21)14-8-10-15(18)11-9-14/h3-11,16H,12H2,1-2H3,(H,19,21)/t16-/m0/s1.
What are the key properties of 4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide?
4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide has a molecular weight of 302.81 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide is sourced from PubChem (CID 8936052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).