(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[(4-phenylphenyl)methyl]propanamide

C31H31FN2O — CID 138608756

IUPAC(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[(4-phenylphenyl)methyl]propanamide
SMILESC[C@@H](C(=O)NCc1ccc(-c2ccccc2)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C31H31FN2O/c1-21(31(35)34-20-22-7-9-25(10-8-22)24-5-3-2-4-6-24)23-11-13-26(14-12-23)28-17-18-33-30-16-15-27(32)19-29(28)30/h2-10,15-19,21,23,26H,11-14,20H2,1H3,(H,34,35)/t21-,23?,26?/m1/s1
InChIKeyOKUHJAOTZQZDDW-LAJDMCDJSA-N
MW466.60 g/mol
LogP7.27
Rot. Bonds6

About (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[(4-phenylphenyl)methyl]propanamide

(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[(4-phenylphenyl)methyl]propanamide (PubChem CID 138608756) has the molecular formula C31H31FN2O and a molecular weight of 466.60 g/mol. Its IUPAC name is (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[(4-phenylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[(4-phenylphenyl)methyl]propanamide
PubChem CID138608756
Molecular FormulaC31H31FN2O
Molecular Weight466.60 g/mol
Exact Mass466.24
IUPAC Name(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[(4-phenylphenyl)methyl]propanamide
SMILESC[C@@H](C(=O)NCc1ccc(-c2ccccc2)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C31H31FN2O/c1-21(31(35)34-20-22-7-9-25(10-8-22)24-5-3-2-4-6-24)23-11-13-26(14-12-23)28-17-18-33-30-16-15-27(32)19-29(28)30/h2-10,15-19,21,23,26H,11-14,20H2,1H3,(H,34,35)/t21-,23?,26?/m1/s1
InChIKeyOKUHJAOTZQZDDW-LAJDMCDJSA-N
XLogP7.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2-ethoxyphenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 121333278
(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide
CID 121333236
2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-(3-methylphenyl)propanamide
CID 121333237
N-[(2S)-2-bicyclo[2.2.1]heptanyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 129088674
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylpropanamide
CID 138595573
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-2-phenylbenzamide
CID 121332507
4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide
CID 162465060
methyl 3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoylamino]benzoate
CID 121333286
2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 121333300
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]acetamide
CID 138549886
N-[(4-chlorophenyl)methyl]-4-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxamide
CID 121318796
ethane;2-fluoro-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid
CID 142561439

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[(4-phenylphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[(4-phenylphenyl)methyl]propanamide (CID 138608756) is (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[(4-phenylphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[(4-phenylphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[(4-phenylphenyl)methyl]propanamide is C[C@@H](C(=O)NCc1ccc(-c2ccccc2)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[(4-phenylphenyl)methyl]propanamide?
The InChIKey is OKUHJAOTZQZDDW-LAJDMCDJSA-N. The full InChI is InChI=1S/C31H31FN2O/c1-21(31(35)34-20-22-7-9-25(10-8-22)24-5-3-2-4-6-24)23-11-13-26(14-12-23)28-17-18-33-30-16-15-27(32)19-29(28)30/h2-10,15-19,21,23,26H,11-14,20H2,1H3,(H,34,35)/t21-,23?,26?/m1/s1.
What are the key properties of (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[(4-phenylphenyl)methyl]propanamide?
(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[(4-phenylphenyl)methyl]propanamide has a molecular weight of 466.60 g/mol, XLogP of 7.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[(4-phenylphenyl)methyl]propanamide is sourced from PubChem (CID 138608756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).