2-methyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]benzamide

C20H18N4O2 — CID 134056276

IUPAC2-methyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCC(=O)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C20H18N4O2/c1-14-7-5-6-10-17(14)20(26)23-13-18(25)24-16-11-21-19(22-12-16)15-8-3-2-4-9-15/h2-12H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyKKPROFADDKKCSF-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.82
Rot. Bonds5

About 2-methyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]benzamide

2-methyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]benzamide (PubChem CID 134056276) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]benzamide
PubChem CID134056276
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-methyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCC(=O)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C20H18N4O2/c1-14-7-5-6-10-17(14)20(26)23-13-18(25)24-16-11-21-19(22-12-16)15-8-3-2-4-9-15/h2-12H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyKKPROFADDKKCSF-UHFFFAOYSA-N
XLogP2.82
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]propanamide
CID 134009428
N-(2-phenylpyrimidin-5-yl)propanamide
CID 53014772
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 21383192
2-chloro-N-(2-phenylpyrimidin-5-yl)acetamide
CID 43699755
2-methylsulfanyl-N-(2-phenylpyrimidin-5-yl)acetamide
CID 47128547
2-methyl-N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]benzamide
CID 92532530
N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylbenzamide
CID 2234244
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084
2-bromo-N-(2-phenylpyrimidin-5-yl)benzamide
CID 27692565
2-phenoxy-N-(2-phenylpyrimidin-5-yl)acetamide
CID 17407421
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51275540
N-[2-[(6-chloro-5-methyl-3-pyridinyl)amino]-2-oxoethyl]benzamide
CID 103745282

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]benzamide (CID 134056276) is 2-methyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]benzamide is Cc1ccccc1C(=O)NCC(=O)Nc1cnc(-c2ccccc2)nc1.
What is the InChIKey of 2-methyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]benzamide?
The InChIKey is KKPROFADDKKCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-14-7-5-6-10-17(14)20(26)23-13-18(25)24-16-11-21-19(22-12-16)15-8-3-2-4-9-15/h2-12H,13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-methyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]benzamide?
2-methyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]benzamide has a molecular weight of 346.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]benzamide is sourced from PubChem (CID 134056276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).