3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)propanamide

C18H21ClN2O2 — CID 3787915

IUPAC3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)propanamide
SMILESO=C(CCN(CCO)Cc1ccccc1)Nc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O2/c19-16-8-4-5-9-17(16)20-18(23)10-11-21(12-13-22)14-15-6-2-1-3-7-15/h1-9,22H,10-14H2,(H,20,23)
InChIKeyVPMUEECIUKPEHP-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.16
Rot. Bonds8

About 3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)propanamide

3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)propanamide (PubChem CID 3787915) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)propanamide
PubChem CID3787915
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)propanamide
SMILESO=C(CCN(CCO)Cc1ccccc1)Nc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O2/c19-16-8-4-5-9-17(16)20-18(23)10-11-21(12-13-22)14-15-6-2-1-3-7-15/h1-9,22H,10-14H2,(H,20,23)
InChIKeyVPMUEECIUKPEHP-UHFFFAOYSA-N
XLogP3.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[benzyl(2-hydroxyethyl)amino]propanoic acid
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N-(2-chlorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propanamide
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2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 11971642
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol
CID 6456340
N-(2-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
CID 24587420
N-(2-chlorophenyl)-3-[ethyl(2-methylprop-2-enyl)amino]propanamide;hydrochloride
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benzyl-[3-(2-chloroanilino)-3-oxopropyl]-methylazanium
CID 6981256

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)propanamide?
The IUPAC name of 3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)propanamide (CID 3787915) is 3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)propanamide is O=C(CCN(CCO)Cc1ccccc1)Nc1ccccc1Cl.
What is the InChIKey of 3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)propanamide?
The InChIKey is VPMUEECIUKPEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c19-16-8-4-5-9-17(16)20-18(23)10-11-21(12-13-22)14-15-6-2-1-3-7-15/h1-9,22H,10-14H2,(H,20,23).
What are the key properties of 3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)propanamide?
3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)propanamide has a molecular weight of 332.83 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 3787915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).