N-[2-(4-fluorophenyl)ethyl]-3-(pyrimidin-2-ylamino)benzamide

C19H17FN4O — CID 35439149

IUPACN-[2-(4-fluorophenyl)ethyl]-3-(pyrimidin-2-ylamino)benzamide
SMILESO=C(NCCc1ccc(F)cc1)c1cccc(Nc2ncccn2)c1
InChIInChI=1S/C19H17FN4O/c20-16-7-5-14(6-8-16)9-12-21-18(25)15-3-1-4-17(13-15)24-19-22-10-2-11-23-19/h1-8,10-11,13H,9,12H2,(H,21,25)(H,22,23,24)
InChIKeyCPIILDDHEPLURG-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.33
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-3-(pyrimidin-2-ylamino)benzamide

N-[2-(4-fluorophenyl)ethyl]-3-(pyrimidin-2-ylamino)benzamide (PubChem CID 35439149) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-(pyrimidin-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-(pyrimidin-2-ylamino)benzamide
PubChem CID35439149
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-(pyrimidin-2-ylamino)benzamide
SMILESO=C(NCCc1ccc(F)cc1)c1cccc(Nc2ncccn2)c1
InChIInChI=1S/C19H17FN4O/c20-16-7-5-14(6-8-16)9-12-21-18(25)15-3-1-4-17(13-15)24-19-22-10-2-11-23-19/h1-8,10-11,13H,9,12H2,(H,21,25)(H,22,23,24)
InChIKeyCPIILDDHEPLURG-UHFFFAOYSA-N
XLogP3.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[4-[2-(4-fluorophenyl)ethylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109308533
5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236453
2-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109308543
1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051094
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697
N-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109264772
N-[2-(4-fluorophenyl)ethyl]-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 38705932
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
N-methyl-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzamide
CID 32919336
2-N-(2,6-difluorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109088058
N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-3-ylamino)benzamide
CID 117087950
methyl 3-[[5-[(4-fluorophenyl)methylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109257227

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(pyrimidin-2-ylamino)benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(pyrimidin-2-ylamino)benzamide (CID 35439149) is N-[2-(4-fluorophenyl)ethyl]-3-(pyrimidin-2-ylamino)benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-(pyrimidin-2-ylamino)benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-(pyrimidin-2-ylamino)benzamide is O=C(NCCc1ccc(F)cc1)c1cccc(Nc2ncccn2)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-(pyrimidin-2-ylamino)benzamide?
The InChIKey is CPIILDDHEPLURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-16-7-5-14(6-8-16)9-12-21-18(25)15-3-1-4-17(13-15)24-19-22-10-2-11-23-19/h1-8,10-11,13H,9,12H2,(H,21,25)(H,22,23,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-(pyrimidin-2-ylamino)benzamide?
N-[2-(4-fluorophenyl)ethyl]-3-(pyrimidin-2-ylamino)benzamide has a molecular weight of 336.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-(pyrimidin-2-ylamino)benzamide is sourced from PubChem (CID 35439149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).