(3R)-3-(3-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide

C21H20ClN3O3 — CID 97275845

IUPAC(3R)-3-(3-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide
SMILESO=C(C[C@H](c1ccccc1)c1cccc(Cl)c1)NCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C21H20ClN3O3/c22-16-8-4-7-15(11-16)17(14-5-2-1-3-6-14)12-19(26)23-10-9-18-24-20(27)13-21(28)25-18/h1-8,11,13,17H,9-10,12H2,(H,23,26)(H2,24,25,27,28)/t17-/m1/s1
InChIKeyZRLJZEISPDXDKD-QGZVFWFLSA-N
MW397.86 g/mol
LogP3.01
Rot. Bonds7

About (3R)-3-(3-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide

(3R)-3-(3-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide (PubChem CID 97275845) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is (3R)-3-(3-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-(3-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide
PubChem CID97275845
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name(3R)-3-(3-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide
SMILESO=C(C[C@H](c1ccccc1)c1cccc(Cl)c1)NCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C21H20ClN3O3/c22-16-8-4-7-15(11-16)17(14-5-2-1-3-6-14)12-19(26)23-10-9-18-24-20(27)13-21(28)25-18/h1-8,11,13,17H,9-10,12H2,(H,23,26)(H2,24,25,27,28)/t17-/m1/s1
InChIKeyZRLJZEISPDXDKD-QGZVFWFLSA-N
XLogP3.01
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(2-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide
CID 97280495
(3S)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide
CID 97283539
(3R)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide
CID 25375954
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(furan-2-yl)-3-phenylpropanamide
CID 137214432
3-(3-chlorophenyl)-N-(2-methoxyethyl)-3-phenylpropanamide
CID 45193216
(3S)-3-(3-chlorophenyl)-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
CID 25301507
N-[2-(3-chlorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110416583
(3S)-3-(3-chlorophenyl)-3-phenylpropanamide
CID 125467279
3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 42774472
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide
CID 110397871
3-(4-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide
CID 45195362
(3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 42533121

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of (3R)-3-(3-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide (CID 97275845) is (3R)-3-(3-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-(3-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for (3R)-3-(3-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide is O=C(C[C@H](c1ccccc1)c1cccc(Cl)c1)NCCc1nc(O)cc(=O)[nH]1.
What is the InChIKey of (3R)-3-(3-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide?
The InChIKey is ZRLJZEISPDXDKD-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c22-16-8-4-7-15(11-16)17(14-5-2-1-3-6-14)12-19(26)23-10-9-18-24-20(27)13-21(28)25-18/h1-8,11,13,17H,9-10,12H2,(H,23,26)(H2,24,25,27,28)/t17-/m1/s1.
What are the key properties of (3R)-3-(3-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide?
(3R)-3-(3-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide has a molecular weight of 397.86 g/mol, XLogP of 3.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 97275845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).