4-fluoro-N-[(2R,4R)-2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide

C27H27FN2O2 — CID 6555961

IUPAC4-fluoro-N-[(2R,4R)-2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
SMILESCC(C)C(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc(F)cc2)c2ccccc2)C[C@H]1C
InChIInChI=1S/C27H27FN2O2/c1-18(2)26(31)29-19(3)17-25(23-11-7-8-12-24(23)29)30(22-9-5-4-6-10-22)27(32)20-13-15-21(28)16-14-20/h4-16,18-19,25H,17H2,1-3H3/t19-,25-/m1/s1
InChIKeyNESFTUWYFPCXLD-KBMIEXCESA-N
MW430.52 g/mol
LogP5.99
Rot. Bonds4

About 4-fluoro-N-[(2R,4R)-2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide

4-fluoro-N-[(2R,4R)-2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide (PubChem CID 6555961) has the molecular formula C27H27FN2O2 and a molecular weight of 430.52 g/mol. Its IUPAC name is 4-fluoro-N-[(2R,4R)-2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2R,4R)-2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
PubChem CID6555961
Molecular FormulaC27H27FN2O2
Molecular Weight430.52 g/mol
Exact Mass430.21
IUPAC Name4-fluoro-N-[(2R,4R)-2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
SMILESCC(C)C(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc(F)cc2)c2ccccc2)C[C@H]1C
InChIInChI=1S/C27H27FN2O2/c1-18(2)26(31)29-19(3)17-25(23-11-7-8-12-24(23)29)30(22-9-5-4-6-10-22)27(32)20-13-15-21(28)16-14-20/h4-16,18-19,25H,17H2,1-3H3/t19-,25-/m1/s1
InChIKeyNESFTUWYFPCXLD-KBMIEXCESA-N
XLogP5.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.52
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-[(2R,4R)-2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide with MolForge

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Related Compounds

N-[(2S,4R)-2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-3-nitro-N-phenylbenzamide
CID 1103983
N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methyl-N-phenylbutanamide
CID 58859900
N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 1315658
N-[(2R,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methoxy-N-phenylbenzamide
CID 2319886
N-[(2R,4R)-1-benzoyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-fluorophenyl)benzamide
CID 118870759
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide
CID 6581246
N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide
CID 7299352
2-(4-fluorophenyl)-N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 1048862
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-fluoro-N-phenylbenzamide
CID 1205542
ethane;N-(1-methoxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylbenzamide
CID 142906233
(2S,4S)-4-(N-acetylanilino)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 21092994
N-[1-(3,4-difluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 58859677

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2R,4R)-2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide?
The IUPAC name of 4-fluoro-N-[(2R,4R)-2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide (CID 6555961) is 4-fluoro-N-[(2R,4R)-2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide.
What is the SMILES notation for 4-fluoro-N-[(2R,4R)-2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide?
The canonical SMILES for 4-fluoro-N-[(2R,4R)-2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide is CC(C)C(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc(F)cc2)c2ccccc2)C[C@H]1C.
What is the InChIKey of 4-fluoro-N-[(2R,4R)-2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide?
The InChIKey is NESFTUWYFPCXLD-KBMIEXCESA-N. The full InChI is InChI=1S/C27H27FN2O2/c1-18(2)26(31)29-19(3)17-25(23-11-7-8-12-24(23)29)30(22-9-5-4-6-10-22)27(32)20-13-15-21(28)16-14-20/h4-16,18-19,25H,17H2,1-3H3/t19-,25-/m1/s1.
What are the key properties of 4-fluoro-N-[(2R,4R)-2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide?
4-fluoro-N-[(2R,4R)-2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide has a molecular weight of 430.52 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2R,4R)-2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide is sourced from PubChem (CID 6555961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).