N-(3,5-dichlorophenyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide

C24H17Cl2N3O2 — CID 504995

IUPACN-(3,5-dichlorophenyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide
SMILESO=C(CC(=O)N(Cc1ccc2ccccc2c1)c1cc(Cl)cc(Cl)c1)c1ncccn1
InChIInChI=1S/C24H17Cl2N3O2/c25-19-11-20(26)13-21(12-19)29(23(31)14-22(30)24-27-8-3-9-28-24)15-16-6-7-17-4-1-2-5-18(17)10-16/h1-13H,14-15H2
InChIKeyWQDBPIKJMKEJKB-UHFFFAOYSA-N
MW450.33 g/mol
LogP5.74
Rot. Bonds6

About N-(3,5-dichlorophenyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide

N-(3,5-dichlorophenyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide (PubChem CID 504995) has the molecular formula C24H17Cl2N3O2 and a molecular weight of 450.33 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide
PubChem CID504995
Molecular FormulaC24H17Cl2N3O2
Molecular Weight450.33 g/mol
Exact Mass449.07
IUPAC NameN-(3,5-dichlorophenyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide
SMILESO=C(CC(=O)N(Cc1ccc2ccccc2c1)c1cc(Cl)cc(Cl)c1)c1ncccn1
InChIInChI=1S/C24H17Cl2N3O2/c25-19-11-20(26)13-21(12-19)29(23(31)14-22(30)24-27-8-3-9-28-24)15-16-6-7-17-4-1-2-5-18(17)10-16/h1-13H,14-15H2
InChIKeyWQDBPIKJMKEJKB-UHFFFAOYSA-N
XLogP5.74
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.33
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-4-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzamide
CID 505122
N-(2-naphthylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-yl-propanamide
CID 504994
N-benzyl-N-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide
CID 504998
N,N-dimethyl-3-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzamide
CID 505002
N-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 505004
N-isopentyl-N-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide
CID 505005
N-(2-chlorophenyl)-N-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide
CID 505006
2-fluoro-N-(2-naphthylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-yl-propanamide
CID 505007
N,N-diethyl-3-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzamide
CID 505010
N-benzyl-N-methyl-3-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzamide
CID 505012
N-[3-(2-Methyl-propenyl)-phenyl]-N-naphthalen-2-ylmethyl-3-oxo-3-pyrimidin-2-yl-propionamide
CID 505013
N-(3-isobutylphenyl)-N-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide
CID 505014

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide (CID 504995) is N-(3,5-dichlorophenyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide is O=C(CC(=O)N(Cc1ccc2ccccc2c1)c1cc(Cl)cc(Cl)c1)c1ncccn1.
What is the InChIKey of N-(3,5-dichlorophenyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide?
The InChIKey is WQDBPIKJMKEJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3O2/c25-19-11-20(26)13-21(12-19)29(23(31)14-22(30)24-27-8-3-9-28-24)15-16-6-7-17-4-1-2-5-18(17)10-16/h1-13H,14-15H2.
What are the key properties of N-(3,5-dichlorophenyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide?
N-(3,5-dichlorophenyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide has a molecular weight of 450.33 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 504995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).