4-(2-chloro-5-fluoropyrimidin-4-yl)-N-[2-(3-chlorophenyl)-2-hydroxyethyl]benzamide

C19H14Cl2FN3O2 — CID 87958107

IUPAC4-(2-chloro-5-fluoropyrimidin-4-yl)-N-[2-(3-chlorophenyl)-2-hydroxyethyl]benzamide
SMILESO=C(NCC(O)c1cccc(Cl)c1)c1ccc(-c2nc(Cl)ncc2F)cc1
InChIInChI=1S/C19H14Cl2FN3O2/c20-14-3-1-2-13(8-14)16(26)10-23-18(27)12-6-4-11(5-7-12)17-15(22)9-24-19(21)25-17/h1-9,16,26H,10H2,(H,23,27)
InChIKeyWVWMYQKREABDRP-UHFFFAOYSA-N
MW406.24 g/mol
LogP4.05
Rot. Bonds5

About 4-(2-chloro-5-fluoropyrimidin-4-yl)-N-[2-(3-chlorophenyl)-2-hydroxyethyl]benzamide

4-(2-chloro-5-fluoropyrimidin-4-yl)-N-[2-(3-chlorophenyl)-2-hydroxyethyl]benzamide (PubChem CID 87958107) has the molecular formula C19H14Cl2FN3O2 and a molecular weight of 406.24 g/mol. Its IUPAC name is 4-(2-chloro-5-fluoropyrimidin-4-yl)-N-[2-(3-chlorophenyl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name4-(2-chloro-5-fluoropyrimidin-4-yl)-N-[2-(3-chlorophenyl)-2-hydroxyethyl]benzamide
PubChem CID87958107
Molecular FormulaC19H14Cl2FN3O2
Molecular Weight406.24 g/mol
Exact Mass405.04
IUPAC Name4-(2-chloro-5-fluoropyrimidin-4-yl)-N-[2-(3-chlorophenyl)-2-hydroxyethyl]benzamide
SMILESO=C(NCC(O)c1cccc(Cl)c1)c1ccc(-c2nc(Cl)ncc2F)cc1
InChIInChI=1S/C19H14Cl2FN3O2/c20-14-3-1-2-13(8-14)16(26)10-23-18(27)12-6-4-11(5-7-12)17-15(22)9-24-19(21)25-17/h1-9,16,26H,10H2,(H,23,27)
InChIKeyWVWMYQKREABDRP-UHFFFAOYSA-N
XLogP4.05
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.24
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725997
N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725998
N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-(propan-2-ylamino)pyrimidin-4-yl]benzamide
CID 69424569
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-1-ethylbenzotriazole-5-carboxamide
CID 94183539
3-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566265
1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 51944513
5-chloro-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide
CID 111434796
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 46480430
4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 51681217
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluoropyrimidin-4-yl)-N-[2-(3-chlorophenyl)-2-hydroxyethyl]benzamide?
The IUPAC name of 4-(2-chloro-5-fluoropyrimidin-4-yl)-N-[2-(3-chlorophenyl)-2-hydroxyethyl]benzamide (CID 87958107) is 4-(2-chloro-5-fluoropyrimidin-4-yl)-N-[2-(3-chlorophenyl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for 4-(2-chloro-5-fluoropyrimidin-4-yl)-N-[2-(3-chlorophenyl)-2-hydroxyethyl]benzamide?
The canonical SMILES for 4-(2-chloro-5-fluoropyrimidin-4-yl)-N-[2-(3-chlorophenyl)-2-hydroxyethyl]benzamide is O=C(NCC(O)c1cccc(Cl)c1)c1ccc(-c2nc(Cl)ncc2F)cc1.
What is the InChIKey of 4-(2-chloro-5-fluoropyrimidin-4-yl)-N-[2-(3-chlorophenyl)-2-hydroxyethyl]benzamide?
The InChIKey is WVWMYQKREABDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FN3O2/c20-14-3-1-2-13(8-14)16(26)10-23-18(27)12-6-4-11(5-7-12)17-15(22)9-24-19(21)25-17/h1-9,16,26H,10H2,(H,23,27).
What are the key properties of 4-(2-chloro-5-fluoropyrimidin-4-yl)-N-[2-(3-chlorophenyl)-2-hydroxyethyl]benzamide?
4-(2-chloro-5-fluoropyrimidin-4-yl)-N-[2-(3-chlorophenyl)-2-hydroxyethyl]benzamide has a molecular weight of 406.24 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluoropyrimidin-4-yl)-N-[2-(3-chlorophenyl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 87958107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).