N-benzyl-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide

C23H21ClN2O4 — CID 51362607

IUPACN-benzyl-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(c1ccc(Cl)cc1)C(C(=O)N(CCO)Cc1ccccc1)n1ccccc1=O
InChIInChI=1S/C23H21ClN2O4/c24-19-11-9-18(10-12-19)22(29)21(26-13-5-4-8-20(26)28)23(30)25(14-15-27)16-17-6-2-1-3-7-17/h1-13,21,27H,14-16H2
InChIKeyNZCKIFFPHJCNGZ-UHFFFAOYSA-N
MW424.88 g/mol
LogP2.95
Rot. Bonds8

About N-benzyl-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide

N-benzyl-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide (PubChem CID 51362607) has the molecular formula C23H21ClN2O4 and a molecular weight of 424.88 g/mol. Its IUPAC name is N-benzyl-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
PubChem CID51362607
Molecular FormulaC23H21ClN2O4
Molecular Weight424.88 g/mol
Exact Mass424.12
IUPAC NameN-benzyl-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(c1ccc(Cl)cc1)C(C(=O)N(CCO)Cc1ccccc1)n1ccccc1=O
InChIInChI=1S/C23H21ClN2O4/c24-19-11-9-18(10-12-19)22(29)21(26-13-5-4-8-20(26)28)23(30)25(14-15-27)16-17-6-2-1-3-7-17/h1-13,21,27H,14-16H2
InChIKeyNZCKIFFPHJCNGZ-UHFFFAOYSA-N
XLogP2.95
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenylpropanamide
CID 7297791
(2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
CID 42502735
N-benzyl-3-(2,4-dichlorophenyl)-N-methyl-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
CID 3963036
(2R)-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenyl-N,N-bis(prop-2-enyl)propanamide
CID 7233719
N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-3-(4-bromophenyl)-N-butyl-3-oxopropanamide
CID 3616676
N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513904
N-benzyl-N-(2-hydroxyethyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 110888429
(2S)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
CID 7324233
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide;hydrochloride
CID 171151373
(2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 61164685
2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 60654045

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-benzyl-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide (CID 51362607) is N-benzyl-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-benzyl-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-benzyl-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide is O=C(c1ccc(Cl)cc1)C(C(=O)N(CCO)Cc1ccccc1)n1ccccc1=O.
What is the InChIKey of N-benzyl-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is NZCKIFFPHJCNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4/c24-19-11-9-18(10-12-19)22(29)21(26-13-5-4-8-20(26)28)23(30)25(14-15-27)16-17-6-2-1-3-7-17/h1-13,21,27H,14-16H2.
What are the key properties of N-benzyl-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide?
N-benzyl-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 424.88 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-chlorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 51362607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).