N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide

C24H23ClF2N2O — CID 121328328

IUPACN-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)C1(F)CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H23ClF2N2O/c1-15(23(30)29-19-5-2-17(25)3-6-19)24(27)11-8-16(9-12-24)20-10-13-28-22-7-4-18(26)14-21(20)22/h2-7,10,13-16H,8-9,11-12H2,1H3,(H,29,30)
InChIKeyCLTQCEYLLSJIAJ-UHFFFAOYSA-N
MW428.91 g/mol
LogP6.67
Rot. Bonds4

About N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide

N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide (PubChem CID 121328328) has the molecular formula C24H23ClF2N2O and a molecular weight of 428.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
PubChem CID121328328
Molecular FormulaC24H23ClF2N2O
Molecular Weight428.91 g/mol
Exact Mass428.15
IUPAC NameN-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)C1(F)CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H23ClF2N2O/c1-15(23(30)29-19-5-2-17(25)3-6-19)24(27)11-8-16(9-12-24)20-10-13-28-22-7-4-18(26)14-21(20)22/h2-7,10,13-16H,8-9,11-12H2,1H3,(H,29,30)
InChIKeyCLTQCEYLLSJIAJ-UHFFFAOYSA-N
XLogP6.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.91
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide
CID 147503377
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;ethane-1,2-disulfonic acid
CID 175788062
N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide
CID 142613284
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide
CID 137390907
2-[(3aS,5S,6aS)-5-(6-fluoroquinolin-4-yl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide
CID 147463331
(2R)-N-(4-chlorophenyl)-2-[(1R,4R)-4-(6-fluoroquinolin-4-yl)cyclohex-2-en-1-yl]propanamide
CID 134823837
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175788054
2-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)acetamide;(2S)-2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide;(2R)-2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide;2-[(3aR,6aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide
CID 161361633
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]propanamide
CID 121328261
2-[(3aS,6aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)-2-methylpropanamide
CID 155087681
2-[(3aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)acetamide
CID 155016347
4-chloro-N-[3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pent-1-en-2-yl]aniline
CID 155416442

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide (CID 121328328) is N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide is CC(C(=O)Nc1ccc(Cl)cc1)C1(F)CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
The InChIKey is CLTQCEYLLSJIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF2N2O/c1-15(23(30)29-19-5-2-17(25)3-6-19)24(27)11-8-16(9-12-24)20-10-13-28-22-7-4-18(26)14-21(20)22/h2-7,10,13-16H,8-9,11-12H2,1H3,(H,29,30).
What are the key properties of N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide has a molecular weight of 428.91 g/mol, XLogP of 6.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide is sourced from PubChem (CID 121328328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).