4-chloro-N-[3-[methyl(2-phenylethyl)amino]propyl]benzamide

C19H23ClN2O — CID 118607351

IUPAC4-chloro-N-[3-[methyl(2-phenylethyl)amino]propyl]benzamide
SMILESCN(CCCNC(=O)c1ccc(Cl)cc1)CCc1ccccc1
InChIInChI=1S/C19H23ClN2O/c1-22(15-12-16-6-3-2-4-7-16)14-5-13-21-19(23)17-8-10-18(20)11-9-17/h2-4,6-11H,5,12-15H2,1H3,(H,21,23)
InChIKeyYWPSNNQVCNRFAG-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.63
Rot. Bonds8

About 4-chloro-N-[3-[methyl(2-phenylethyl)amino]propyl]benzamide

4-chloro-N-[3-[methyl(2-phenylethyl)amino]propyl]benzamide (PubChem CID 118607351) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 4-chloro-N-[3-[methyl(2-phenylethyl)amino]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[methyl(2-phenylethyl)amino]propyl]benzamide
PubChem CID118607351
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name4-chloro-N-[3-[methyl(2-phenylethyl)amino]propyl]benzamide
SMILESCN(CCCNC(=O)c1ccc(Cl)cc1)CCc1ccccc1
InChIInChI=1S/C19H23ClN2O/c1-22(15-12-16-6-3-2-4-7-16)14-5-13-21-19(23)17-8-10-18(20)11-9-17/h2-4,6-11H,5,12-15H2,1H3,(H,21,23)
InChIKeyYWPSNNQVCNRFAG-UHFFFAOYSA-N
XLogP3.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-Chloro-N-phenethyl-benzamide
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4-methyl-N-(2-phenylethyl)benzamide
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4-Chloro-N-(3-(4-morpholinyl)propyl)benzamide
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4-Chloro-N-(2-hydroxyethyl)benzamide
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N-benzyl-4-chlorobenzamide
CID 346668
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[methyl(2-phenylethyl)amino]propyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[methyl(2-phenylethyl)amino]propyl]benzamide (CID 118607351) is 4-chloro-N-[3-[methyl(2-phenylethyl)amino]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[methyl(2-phenylethyl)amino]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[methyl(2-phenylethyl)amino]propyl]benzamide is CN(CCCNC(=O)c1ccc(Cl)cc1)CCc1ccccc1.
What is the InChIKey of 4-chloro-N-[3-[methyl(2-phenylethyl)amino]propyl]benzamide?
The InChIKey is YWPSNNQVCNRFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-22(15-12-16-6-3-2-4-7-16)14-5-13-21-19(23)17-8-10-18(20)11-9-17/h2-4,6-11H,5,12-15H2,1H3,(H,21,23).
What are the key properties of 4-chloro-N-[3-[methyl(2-phenylethyl)amino]propyl]benzamide?
4-chloro-N-[3-[methyl(2-phenylethyl)amino]propyl]benzamide has a molecular weight of 330.86 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[methyl(2-phenylethyl)amino]propyl]benzamide is sourced from PubChem (CID 118607351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).