N-[2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-N-methylbenzamide

C18H19ClN2O3 — CID 110885729

IUPACN-[2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NCC(O)c1ccc(Cl)cc1)C(=O)c1ccccc1
InChIInChI=1S/C18H19ClN2O3/c1-21(18(24)14-5-3-2-4-6-14)12-17(23)20-11-16(22)13-7-9-15(19)10-8-13/h2-10,16,22H,11-12H2,1H3,(H,20,23)
InChIKeyQYYDXEVTWDTTIM-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.26
Rot. Bonds6

About N-[2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-N-methylbenzamide

N-[2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-N-methylbenzamide (PubChem CID 110885729) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-N-methylbenzamide
PubChem CID110885729
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NCC(O)c1ccc(Cl)cc1)C(=O)c1ccccc1
InChIInChI=1S/C18H19ClN2O3/c1-21(18(24)14-5-3-2-4-6-14)12-17(23)20-11-16(22)13-7-9-15(19)10-8-13/h2-10,16,22H,11-12H2,1H3,(H,20,23)
InChIKeyQYYDXEVTWDTTIM-UHFFFAOYSA-N
XLogP2.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide
CID 106164142
3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2-methoxypropanoic acid
CID 106107222
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea
CID 38214845
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
2-[benzyl(methyl)amino]-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]acetamide
CID 94806000
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(dimethylamino)-3-methylbutanamide
CID 111107154
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide
CID 110885506
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 110663484
N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide
CID 86076853

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of N-[2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-N-methylbenzamide (CID 110885729) is N-[2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)NCC(O)c1ccc(Cl)cc1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-N-methylbenzamide?
The InChIKey is QYYDXEVTWDTTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-21(18(24)14-5-3-2-4-6-14)12-17(23)20-11-16(22)13-7-9-15(19)10-8-13/h2-10,16,22H,11-12H2,1H3,(H,20,23).
What are the key properties of N-[2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-N-methylbenzamide?
N-[2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-N-methylbenzamide has a molecular weight of 346.81 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 110885729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).