N-[2-oxo-2-phenyl-1-(pyrimidin-2-ylamino)ethyl]benzamide

C19H16N4O2 — CID 2836123

IUPACN-[2-oxo-2-phenyl-1-(pyrimidin-2-ylamino)ethyl]benzamide
SMILESO=C(NC(Nc1ncccn1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N4O2/c24-16(14-8-3-1-4-9-14)17(23-19-20-12-7-13-21-19)22-18(25)15-10-5-2-6-11-15/h1-13,17H,(H,22,25)(H,20,21,23)
InChIKeySQRPBDFYIVAQSB-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.53
Rot. Bonds6

About N-[2-oxo-2-phenyl-1-(pyrimidin-2-ylamino)ethyl]benzamide

N-[2-oxo-2-phenyl-1-(pyrimidin-2-ylamino)ethyl]benzamide (PubChem CID 2836123) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[2-oxo-2-phenyl-1-(pyrimidin-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-phenyl-1-(pyrimidin-2-ylamino)ethyl]benzamide
PubChem CID2836123
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-[2-oxo-2-phenyl-1-(pyrimidin-2-ylamino)ethyl]benzamide
SMILESO=C(NC(Nc1ncccn1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N4O2/c24-16(14-8-3-1-4-9-14)17(23-19-20-12-7-13-21-19)22-18(25)15-10-5-2-6-11-15/h1-13,17H,(H,22,25)(H,20,21,23)
InChIKeySQRPBDFYIVAQSB-UHFFFAOYSA-N
XLogP2.53
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Piketoprofen
CID 68801
2-methyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide
CID 802099
N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide
CID 5289109
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 65389180
8-methyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328637
Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
8-ethyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328647
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 11302050
2-{[2-(Phenylamino)pyrimidin-4-yl]amino}benzamide
CID 23647253
3-({4-[(2-Methylphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138018
4-Pyrimidinecarboxamide,2-amino-6-phenyl-n-(2-pyridinylmethyl)-
CID 44520942
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520947

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-phenyl-1-(pyrimidin-2-ylamino)ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-phenyl-1-(pyrimidin-2-ylamino)ethyl]benzamide (CID 2836123) is N-[2-oxo-2-phenyl-1-(pyrimidin-2-ylamino)ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-phenyl-1-(pyrimidin-2-ylamino)ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-phenyl-1-(pyrimidin-2-ylamino)ethyl]benzamide is O=C(NC(Nc1ncccn1)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-phenyl-1-(pyrimidin-2-ylamino)ethyl]benzamide?
The InChIKey is SQRPBDFYIVAQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c24-16(14-8-3-1-4-9-14)17(23-19-20-12-7-13-21-19)22-18(25)15-10-5-2-6-11-15/h1-13,17H,(H,22,25)(H,20,21,23).
What are the key properties of N-[2-oxo-2-phenyl-1-(pyrimidin-2-ylamino)ethyl]benzamide?
N-[2-oxo-2-phenyl-1-(pyrimidin-2-ylamino)ethyl]benzamide has a molecular weight of 332.36 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-phenyl-1-(pyrimidin-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 2836123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).