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

C21H20ClN3O3 — CID 97280495

IUPAC(3R)-3-(2-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide
SMILESO=C(C[C@H](c1ccccc1)c1ccccc1Cl)NCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C21H20ClN3O3/c22-17-9-5-4-8-15(17)16(14-6-2-1-3-7-14)12-19(26)23-11-10-18-24-20(27)13-21(28)25-18/h1-9,13,16H,10-12H2,(H,23,26)(H2,24,25,27,28)/t16-/m1/s1
InChIKeyRRUAUNDBOMDKAB-MRXNPFEDSA-N
MW397.86 g/mol
LogP3.01
Rot. Bonds7

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

(3R)-3-(2-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide (PubChem CID 97280495) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is (3R)-3-(2-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-(2-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide
PubChem CID97280495
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name(3R)-3-(2-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide
SMILESO=C(C[C@H](c1ccccc1)c1ccccc1Cl)NCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C21H20ClN3O3/c22-17-9-5-4-8-15(17)16(14-6-2-1-3-7-14)12-19(26)23-11-10-18-24-20(27)13-21(28)25-18/h1-9,13,16H,10-12H2,(H,23,26)(H2,24,25,27,28)/t16-/m1/s1
InChIKeyRRUAUNDBOMDKAB-MRXNPFEDSA-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-(3-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide
CID 97275845
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(furan-2-yl)-3-phenylpropanamide
CID 137214432
(3R)-3-(2-chlorophenyl)-N-[(2,4-dihydroxyphenyl)methyl]-3-phenylpropanamide
CID 97282351
(3R)-3-(2-chlorophenyl)-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide
CID 97283785
3-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide
CID 45206269
(3R)-3-(2-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
CID 97276008
(3R)-3-(2-fluorophenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-phenylpropanamide
CID 136831938
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,3-diphenylpropanamide
CID 121145441
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,3-diphenylpropyl)acetamide
CID 135625140
(2S)-2-(2-chlorophenyl)-2-hydroxy-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
CID 136890763
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide
CID 110397871
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 136607690

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of (3R)-3-(2-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide (CID 97280495) is (3R)-3-(2-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-(2-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for (3R)-3-(2-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide is O=C(C[C@H](c1ccccc1)c1ccccc1Cl)NCCc1nc(O)cc(=O)[nH]1.
What is the InChIKey of (3R)-3-(2-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide?
The InChIKey is RRUAUNDBOMDKAB-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c22-17-9-5-4-8-15(17)16(14-6-2-1-3-7-14)12-19(26)23-11-10-18-24-20(27)13-21(28)25-18/h1-9,13,16H,10-12H2,(H,23,26)(H2,24,25,27,28)/t16-/m1/s1.
What are the key properties of (3R)-3-(2-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide?
(3R)-3-(2-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-(2-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 97280495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).