(3R)-3-(2-fluorophenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-phenylpropanamide

C21H20FN3O2 — CID 136831938

IUPAC(3R)-3-(2-fluorophenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-phenylpropanamide
SMILESCc1nc(CNC(=O)C[C@H](c2ccccc2)c2ccccc2F)cc(=O)[nH]1
InChIInChI=1S/C21H20FN3O2/c1-14-24-16(11-21(27)25-14)13-23-20(26)12-18(15-7-3-2-4-8-15)17-9-5-6-10-19(17)22/h2-11,18H,12-13H2,1H3,(H,23,26)(H,24,25,27)/t18-/m1/s1
InChIKeyGRNCPZVOQLMVRN-GOSISDBHSA-N
MW365.41 g/mol
LogP3.06
Rot. Bonds6

About (3R)-3-(2-fluorophenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-phenylpropanamide

(3R)-3-(2-fluorophenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-phenylpropanamide (PubChem CID 136831938) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is (3R)-3-(2-fluorophenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-(2-fluorophenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-phenylpropanamide
PubChem CID136831938
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name(3R)-3-(2-fluorophenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-phenylpropanamide
SMILESCc1nc(CNC(=O)C[C@H](c2ccccc2)c2ccccc2F)cc(=O)[nH]1
InChIInChI=1S/C21H20FN3O2/c1-14-24-16(11-21(27)25-14)13-23-20(26)12-18(15-7-3-2-4-8-15)17-9-5-6-10-19(17)22/h2-11,18H,12-13H2,1H3,(H,23,26)(H,24,25,27)/t18-/m1/s1
InChIKeyGRNCPZVOQLMVRN-GOSISDBHSA-N
XLogP3.06
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 45228340
3-(2-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylpropanamide
CID 72925472
(3R)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 26411426
(3R)-N-[(1-ethylimidazol-2-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 42596150
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 72850665
(3R)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 97270529
4-[1-(2-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 137016292
2-(3-methoxyphenyl)sulfanyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]acetamide
CID 136662204
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110717408
3-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide
CID 45206269
3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 45207071
(3R)-3-(2-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide
CID 97280495

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-fluorophenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-phenylpropanamide?
The IUPAC name of (3R)-3-(2-fluorophenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-phenylpropanamide (CID 136831938) is (3R)-3-(2-fluorophenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-(2-fluorophenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for (3R)-3-(2-fluorophenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-phenylpropanamide is Cc1nc(CNC(=O)C[C@H](c2ccccc2)c2ccccc2F)cc(=O)[nH]1.
What is the InChIKey of (3R)-3-(2-fluorophenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-phenylpropanamide?
The InChIKey is GRNCPZVOQLMVRN-GOSISDBHSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-14-24-16(11-21(27)25-14)13-23-20(26)12-18(15-7-3-2-4-8-15)17-9-5-6-10-19(17)22/h2-11,18H,12-13H2,1H3,(H,23,26)(H,24,25,27)/t18-/m1/s1.
What are the key properties of (3R)-3-(2-fluorophenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-phenylpropanamide?
(3R)-3-(2-fluorophenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-phenylpropanamide has a molecular weight of 365.41 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-fluorophenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 136831938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).