N-(2-chloro-3-pyridinyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide

C18H22ClN3O2 — CID 111497113

IUPACN-(2-chloro-3-pyridinyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1cccnc1Cl)CC(O)c1ccc(C)cc1
InChIInChI=1S/C18H22ClN3O2/c1-3-22(11-16(23)14-8-6-13(2)7-9-14)12-17(24)21-15-5-4-10-20-18(15)19/h4-10,16,23H,3,11-12H2,1-2H3,(H,21,24)
InChIKeyARRPVWMFMIFBKO-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.04
Rot. Bonds7

About N-(2-chloro-3-pyridinyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide

N-(2-chloro-3-pyridinyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide (PubChem CID 111497113) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
PubChem CID111497113
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1cccnc1Cl)CC(O)c1ccc(C)cc1
InChIInChI=1S/C18H22ClN3O2/c1-3-22(11-16(23)14-8-6-13(2)7-9-14)12-17(24)21-15-5-4-10-20-18(15)19/h4-10,16,23H,3,11-12H2,1-2H3,(H,21,24)
InChIKeyARRPVWMFMIFBKO-UHFFFAOYSA-N
XLogP3.04
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[benzyl(ethyl)amino]-N-(2-chloro-3-pyridinyl)acetamide
CID 8547504
N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide
CID 79703986
N-(3-cyanothiophen-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
CID 111497107
N-(2-chloro-3-pyridinyl)-2-(4-methylphenoxy)acetamide
CID 823681
N-(2-chloro-3-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60691996
2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-prop-2-enylacetamide
CID 111489932
N-(2-chloro-3-pyridinyl)-2-(methylamino)acetamide
CID 43222204
N-(2-chloro-3-pyridinyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 8923068
N'-(2-chloro-3-pyridinyl)-N-[2-(diethylamino)ethyl]oxamide
CID 44902462
N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60807840
methyl 3-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62011670
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]azanium
CID 9397823

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide (CID 111497113) is N-(2-chloro-3-pyridinyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide is CCN(CC(=O)Nc1cccnc1Cl)CC(O)c1ccc(C)cc1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide?
The InChIKey is ARRPVWMFMIFBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-3-22(11-16(23)14-8-6-13(2)7-9-14)12-17(24)21-15-5-4-10-20-18(15)19/h4-10,16,23H,3,11-12H2,1-2H3,(H,21,24).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide?
N-(2-chloro-3-pyridinyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide has a molecular weight of 347.85 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 111497113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).