N-[(4-chlorophenyl)methyl]-4-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxamide

C23H22ClFN2O — CID 121318796

IUPACN-[(4-chlorophenyl)methyl]-4-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C23H22ClFN2O/c24-18-7-1-15(2-8-18)14-27-23(28)17-5-3-16(4-6-17)20-11-12-26-22-10-9-19(25)13-21(20)22/h1-2,7-13,16-17H,3-6,14H2,(H,27,28)
InChIKeyZSQSTAUGTIIYFO-UHFFFAOYSA-N
MW396.89 g/mol
LogP5.62
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-4-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxamide

N-[(4-chlorophenyl)methyl]-4-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxamide (PubChem CID 121318796) has the molecular formula C23H22ClFN2O and a molecular weight of 396.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxamide
PubChem CID121318796
Molecular FormulaC23H22ClFN2O
Molecular Weight396.89 g/mol
Exact Mass396.14
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C23H22ClFN2O/c24-18-7-1-15(2-8-18)14-27-23(28)17-5-3-16(4-6-17)20-11-12-26-22-10-9-19(25)13-21(20)22/h1-2,7-13,16-17H,3-6,14H2,(H,27,28)
InChIKeyZSQSTAUGTIIYFO-UHFFFAOYSA-N
XLogP5.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.89
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-chlorobenzamide;4-cyclohexyl-6-fluoroquinoline
CID 145397632
4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide
CID 121329957
N'-(4-chlorophenyl)-4-(6-fluoroquinolin-4-yl)-N-hydroxycyclohexane-1-carboximidamide
CID 139429318
N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide
CID 142556941
(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[(4-phenylphenyl)methyl]propanamide
CID 138608756
N-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 175886025
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
N-benzyl-4-(6-fluoroquinolin-4-yl)cyclohexan-1-amine
CID 121318760
N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 121328328
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide
CID 137390907
N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide
CID 121329944
N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclobutanecarboxamide
CID 142556943

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxamide (CID 121318796) is N-[(4-chlorophenyl)methyl]-4-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is ZSQSTAUGTIIYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O/c24-18-7-1-15(2-8-18)14-27-23(28)17-5-3-16(4-6-17)20-11-12-26-22-10-9-19(25)13-21(20)22/h1-2,7-13,16-17H,3-6,14H2,(H,27,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxamide?
N-[(4-chlorophenyl)methyl]-4-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 396.89 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 121318796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).