2-(4-fluorophenyl)-N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

C27H27FN2O2 — CID 1048862

IUPAC2-(4-fluorophenyl)-N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCCC(=O)N1c2ccccc2[C@@H](N(C(=O)Cc2ccc(F)cc2)c2ccccc2)C[C@H]1C
InChIInChI=1S/C27H27FN2O2/c1-3-26(31)29-19(2)17-25(23-11-7-8-12-24(23)29)30(22-9-5-4-6-10-22)27(32)18-20-13-15-21(28)16-14-20/h4-16,19,25H,3,17-18H2,1-2H3/t19-,25+/m1/s1
InChIKeyAPAMXHLGKORGCF-CLOONOSVSA-N
MW430.52 g/mol
LogP5.68
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

2-(4-fluorophenyl)-N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 1048862) has the molecular formula C27H27FN2O2 and a molecular weight of 430.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID1048862
Molecular FormulaC27H27FN2O2
Molecular Weight430.52 g/mol
Exact Mass430.21
IUPAC Name2-(4-fluorophenyl)-N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCCC(=O)N1c2ccccc2[C@@H](N(C(=O)Cc2ccc(F)cc2)c2ccccc2)C[C@H]1C
InChIInChI=1S/C27H27FN2O2/c1-3-26(31)29-19(2)17-25(23-11-7-8-12-24(23)29)30(22-9-5-4-6-10-22)27(32)18-20-13-15-21(28)16-14-20/h4-16,19,25H,3,17-18H2,1-2H3/t19-,25+/m1/s1
InChIKeyAPAMXHLGKORGCF-CLOONOSVSA-N
XLogP5.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.52
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluorophenyl)-N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide with MolForge

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Related Compounds

N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 1100225
N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide
CID 3103979
N-[2-methyl-1-(2-phenylacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 17067365
N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-2-thiophen-2-ylacetamide
CID 40771805
N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-2-phenoxy-N-phenylacetamide
CID 17354822
N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 1315658
N-[(2S,4S)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,2-diphenylacetamide
CID 29400498
N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methyl-N-phenylbutanamide
CID 58859900
N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)propanamide
CID 58859828
N-[(2R,4S)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)propanamide
CID 21093065
4-fluoro-N-[(2R,4R)-2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 6555961
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpentanamide
CID 6581067

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 1048862) is 2-(4-fluorophenyl)-N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is CCC(=O)N1c2ccccc2[C@@H](N(C(=O)Cc2ccc(F)cc2)c2ccccc2)C[C@H]1C.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is APAMXHLGKORGCF-CLOONOSVSA-N. The full InChI is InChI=1S/C27H27FN2O2/c1-3-26(31)29-19(2)17-25(23-11-7-8-12-24(23)29)30(22-9-5-4-6-10-22)27(32)18-20-13-15-21(28)16-14-20/h4-16,19,25H,3,17-18H2,1-2H3/t19-,25+/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
2-(4-fluorophenyl)-N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 430.52 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 1048862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).