N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-2H-pyrimidine-2-carboxamide

C23H22ClFN4O2 — CID 142769372

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-2H-pyrimidine-2-carboxamide
SMILESCN1C=CC=NC1C(=O)N([C@@H]1CCc2c(F)cc(Cl)cc21)[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C23H22ClFN4O2/c1-28-11-5-10-27-22(28)23(31)29(20(21(26)30)14-6-3-2-4-7-14)19-9-8-16-17(19)12-15(24)13-18(16)25/h2-7,10-13,19-20,22H,8-9H2,1H3,(H2,26,30)/t19-,20-,22?/m1/s1
InChIKeyRQKMMWXMTKABON-JLMWTWJWSA-N
MW440.91 g/mol
LogP3.38
Rot. Bonds5

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-2H-pyrimidine-2-carboxamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-2H-pyrimidine-2-carboxamide (PubChem CID 142769372) has the molecular formula C23H22ClFN4O2 and a molecular weight of 440.91 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-2H-pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-2H-pyrimidine-2-carboxamide
PubChem CID142769372
Molecular FormulaC23H22ClFN4O2
Molecular Weight440.91 g/mol
Exact Mass440.14
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-2H-pyrimidine-2-carboxamide
SMILESCN1C=CC=NC1C(=O)N([C@@H]1CCc2c(F)cc(Cl)cc21)[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C23H22ClFN4O2/c1-28-11-5-10-27-22(28)23(31)29(20(21(26)30)14-6-3-2-4-7-14)19-9-8-16-17(19)12-15(24)13-18(16)25/h2-7,10-13,19-20,22H,8-9H2,1H3,(H2,26,30)/t19-,20-,22?/m1/s1
InChIKeyRQKMMWXMTKABON-JLMWTWJWSA-N
XLogP3.38
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-2H-pyrimidine-2-carboxamide with MolForge

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Related Compounds

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 118936062
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-methylpyridine-4-carboxamide
CID 87055620
N-(2-amino-2-oxo-1-phenylethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-methylpyridine-4-carboxamide
CID 144743649
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 118935261
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 118936158
N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 118935454
N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide
CID 118935172
7-acetyl-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 118935717
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide
CID 87055207
N-[(1R)-2-amino-1-[3-(hydroxymethyl)phenyl]-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 118935957
N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
CID 118936150
N-[(1S)-2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide
CID 118935907

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-2H-pyrimidine-2-carboxamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-2H-pyrimidine-2-carboxamide (CID 142769372) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-2H-pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-2H-pyrimidine-2-carboxamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-2H-pyrimidine-2-carboxamide is CN1C=CC=NC1C(=O)N([C@@H]1CCc2c(F)cc(Cl)cc21)[C@@H](C(N)=O)c1ccccc1.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-2H-pyrimidine-2-carboxamide?
The InChIKey is RQKMMWXMTKABON-JLMWTWJWSA-N. The full InChI is InChI=1S/C23H22ClFN4O2/c1-28-11-5-10-27-22(28)23(31)29(20(21(26)30)14-6-3-2-4-7-14)19-9-8-16-17(19)12-15(24)13-18(16)25/h2-7,10-13,19-20,22H,8-9H2,1H3,(H2,26,30)/t19-,20-,22?/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-2H-pyrimidine-2-carboxamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-2H-pyrimidine-2-carboxamide has a molecular weight of 440.91 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-methyl-2H-pyrimidine-2-carboxamide is sourced from PubChem (CID 142769372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).