N-benzyl-4-chlorobenzamide;4-cyclohexyl-6-fluoroquinoline

C29H28ClFN2O — CID 145397632

IUPACN-benzyl-4-chlorobenzamide;4-cyclohexyl-6-fluoroquinoline
SMILESFc1ccc2nccc(C3CCCCC3)c2c1.O=C(NCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16FN.C14H12ClNO/c16-12-6-7-15-14(10-12)13(8-9-17-15)11-4-2-1-3-5-11;15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h6-11H,1-5H2;1-9H,10H2,(H,16,17)
InChIKeyIQRNOMWLFALUBB-UHFFFAOYSA-N
MW475.01 g/mol
LogP7.69
Rot. Bonds4

About N-benzyl-4-chlorobenzamide;4-cyclohexyl-6-fluoroquinoline

N-benzyl-4-chlorobenzamide;4-cyclohexyl-6-fluoroquinoline (PubChem CID 145397632) has the molecular formula C29H28ClFN2O and a molecular weight of 475.01 g/mol. Its IUPAC name is N-benzyl-4-chlorobenzamide;4-cyclohexyl-6-fluoroquinoline.

Molecular Properties

Compound NameN-benzyl-4-chlorobenzamide;4-cyclohexyl-6-fluoroquinoline
PubChem CID145397632
Molecular FormulaC29H28ClFN2O
Molecular Weight475.01 g/mol
Exact Mass474.19
IUPAC NameN-benzyl-4-chlorobenzamide;4-cyclohexyl-6-fluoroquinoline
SMILESFc1ccc2nccc(C3CCCCC3)c2c1.O=C(NCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16FN.C14H12ClNO/c16-12-6-7-15-14(10-12)13(8-9-17-15)11-4-2-1-3-5-11;15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h6-11H,1-5H2;1-9H,10H2,(H,16,17)
InChIKeyIQRNOMWLFALUBB-UHFFFAOYSA-N
XLogP7.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.01
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxamide
CID 121318796
4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide
CID 121329957
N-benzyl-4-(6-fluoroquinolin-4-yl)cyclohexan-1-amine
CID 121318760
N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide
CID 121329944
(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[(4-phenylphenyl)methyl]propanamide
CID 138608756
4-fluoro-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide
CID 154646245
4-[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]benzohydrazide
CID 162465060
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
N'-(4-chlorophenyl)-4-(6-fluoroquinolin-4-yl)-N-hydroxycyclohexane-1-carboximidamide
CID 139429318
2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 138687677
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide
CID 137390907

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chlorobenzamide;4-cyclohexyl-6-fluoroquinoline?
The IUPAC name of N-benzyl-4-chlorobenzamide;4-cyclohexyl-6-fluoroquinoline (CID 145397632) is N-benzyl-4-chlorobenzamide;4-cyclohexyl-6-fluoroquinoline.
What is the SMILES notation for N-benzyl-4-chlorobenzamide;4-cyclohexyl-6-fluoroquinoline?
The canonical SMILES for N-benzyl-4-chlorobenzamide;4-cyclohexyl-6-fluoroquinoline is Fc1ccc2nccc(C3CCCCC3)c2c1.O=C(NCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-4-chlorobenzamide;4-cyclohexyl-6-fluoroquinoline?
The InChIKey is IQRNOMWLFALUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN.C14H12ClNO/c16-12-6-7-15-14(10-12)13(8-9-17-15)11-4-2-1-3-5-11;15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h6-11H,1-5H2;1-9H,10H2,(H,16,17).
What are the key properties of N-benzyl-4-chlorobenzamide;4-cyclohexyl-6-fluoroquinoline?
N-benzyl-4-chlorobenzamide;4-cyclohexyl-6-fluoroquinoline has a molecular weight of 475.01 g/mol, XLogP of 7.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chlorobenzamide;4-cyclohexyl-6-fluoroquinoline is sourced from PubChem (CID 145397632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).