N-[1-(4-chloro-6-methylpyrimidin-2-yl)-2-phenylethyl]benzamide

C20H18ClN3O — CID 13114247

IUPACN-[1-(4-chloro-6-methylpyrimidin-2-yl)-2-phenylethyl]benzamide
SMILESCc1cc(Cl)nc(C(Cc2ccccc2)NC(=O)c2ccccc2)n1
InChIInChI=1S/C20H18ClN3O/c1-14-12-18(21)24-19(22-14)17(13-15-8-4-2-5-9-15)23-20(25)16-10-6-3-7-11-16/h2-12,17H,13H2,1H3,(H,23,25)
InChIKeyAGKCBSKJYYNHQW-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.15
Rot. Bonds5

About N-[1-(4-chloro-6-methylpyrimidin-2-yl)-2-phenylethyl]benzamide

N-[1-(4-chloro-6-methylpyrimidin-2-yl)-2-phenylethyl]benzamide (PubChem CID 13114247) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is N-[1-(4-chloro-6-methylpyrimidin-2-yl)-2-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[1-(4-chloro-6-methylpyrimidin-2-yl)-2-phenylethyl]benzamide
PubChem CID13114247
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC NameN-[1-(4-chloro-6-methylpyrimidin-2-yl)-2-phenylethyl]benzamide
SMILESCc1cc(Cl)nc(C(Cc2ccccc2)NC(=O)c2ccccc2)n1
InChIInChI=1S/C20H18ClN3O/c1-14-12-18(21)24-19(22-14)17(13-15-8-4-2-5-9-15)23-20(25)16-10-6-3-7-11-16/h2-12,17H,13H2,1H3,(H,23,25)
InChIKeyAGKCBSKJYYNHQW-UHFFFAOYSA-N
XLogP4.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-4-carboxamide
CID 102673663
2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673888
N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-methylquinoline-4-carboxamide
CID 7237810
N-[1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-phenylethyl]benzamide
CID 3739139
4-[[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-(1,2-diphenylethyl)benzamide
CID 42754471
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide
CID 131889440
N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2-phenylethyl]benzamide
CID 120868474
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 110205774
N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
CID 9120177
N-[(2S)-1-[(3-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7478462
N-[1-(4-cyanophenyl)-2-phenylethyl]benzamide
CID 164679164

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-6-methylpyrimidin-2-yl)-2-phenylethyl]benzamide?
The IUPAC name of N-[1-(4-chloro-6-methylpyrimidin-2-yl)-2-phenylethyl]benzamide (CID 13114247) is N-[1-(4-chloro-6-methylpyrimidin-2-yl)-2-phenylethyl]benzamide.
What is the SMILES notation for N-[1-(4-chloro-6-methylpyrimidin-2-yl)-2-phenylethyl]benzamide?
The canonical SMILES for N-[1-(4-chloro-6-methylpyrimidin-2-yl)-2-phenylethyl]benzamide is Cc1cc(Cl)nc(C(Cc2ccccc2)NC(=O)c2ccccc2)n1.
What is the InChIKey of N-[1-(4-chloro-6-methylpyrimidin-2-yl)-2-phenylethyl]benzamide?
The InChIKey is AGKCBSKJYYNHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-14-12-18(21)24-19(22-14)17(13-15-8-4-2-5-9-15)23-20(25)16-10-6-3-7-11-16/h2-12,17H,13H2,1H3,(H,23,25).
What are the key properties of N-[1-(4-chloro-6-methylpyrimidin-2-yl)-2-phenylethyl]benzamide?
N-[1-(4-chloro-6-methylpyrimidin-2-yl)-2-phenylethyl]benzamide has a molecular weight of 351.84 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-6-methylpyrimidin-2-yl)-2-phenylethyl]benzamide is sourced from PubChem (CID 13114247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).