N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylbenzamide

C30H29FN2O — CID 121332507

IUPACN-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylbenzamide
SMILESC[C@@H](NC(=O)c1ccccc1-c1ccccc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C30H29FN2O/c1-20(33-30(34)27-10-6-5-9-25(27)22-7-3-2-4-8-22)21-11-13-23(14-12-21)26-17-18-32-29-16-15-24(31)19-28(26)29/h2-10,15-21,23H,11-14H2,1H3,(H,33,34)/t20-,21?,23?/m1/s1
InChIKeyZLTZBFGYWGADGS-HVIUMASTSA-N
MW452.57 g/mol
LogP7.13
Rot. Bonds5

About N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylbenzamide

N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylbenzamide (PubChem CID 121332507) has the molecular formula C30H29FN2O and a molecular weight of 452.57 g/mol. Its IUPAC name is N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylbenzamide
PubChem CID121332507
Molecular FormulaC30H29FN2O
Molecular Weight452.57 g/mol
Exact Mass452.23
IUPAC NameN-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylbenzamide
SMILESC[C@@H](NC(=O)c1ccccc1-c1ccccc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C30H29FN2O/c1-20(33-30(34)27-10-6-5-9-25(27)22-7-3-2-4-8-22)21-11-13-23(14-12-21)26-17-18-32-29-16-15-24(31)19-28(26)29/h2-10,15-21,23H,11-14H2,1H3,(H,33,34)/t20-,21?,23?/m1/s1
InChIKeyZLTZBFGYWGADGS-HVIUMASTSA-N
XLogP7.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.57
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]acetamide
CID 138549886
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylpropanamide
CID 138595573
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]pyridine-4-carboxamide
CID 146470800
N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide
CID 142556941
N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclobutanecarboxamide
CID 142556943
N-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 175886025
(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[(4-phenylphenyl)methyl]propanamide
CID 138608756
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-imidazol-1-ylbenzamide
CID 121332535
ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid
CID 142561439
4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide
CID 162465060
N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide
CID 121329944
(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide
CID 121333236

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylbenzamide?
The IUPAC name of N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylbenzamide (CID 121332507) is N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylbenzamide.
What is the SMILES notation for N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylbenzamide?
The canonical SMILES for N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylbenzamide is C[C@@H](NC(=O)c1ccccc1-c1ccccc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylbenzamide?
The InChIKey is ZLTZBFGYWGADGS-HVIUMASTSA-N. The full InChI is InChI=1S/C30H29FN2O/c1-20(33-30(34)27-10-6-5-9-25(27)22-7-3-2-4-8-22)21-11-13-23(14-12-21)26-17-18-32-29-16-15-24(31)19-28(26)29/h2-10,15-21,23H,11-14H2,1H3,(H,33,34)/t20-,21?,23?/m1/s1.
What are the key properties of N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylbenzamide?
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylbenzamide has a molecular weight of 452.57 g/mol, XLogP of 7.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylbenzamide is sourced from PubChem (CID 121332507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).