N-[(3R)-1-(5-chloro-2-pyridinyl)-5-methylhexan-3-yl]-2-phenylbenzamide

C25H27ClN2O — CID 160860689

IUPACN-[(3R)-1-(5-chloro-2-pyridinyl)-5-methylhexan-3-yl]-2-phenylbenzamide
SMILESCC(C)C[C@@H](CCc1ccc(Cl)cn1)NC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C25H27ClN2O/c1-18(2)16-22(15-14-21-13-12-20(26)17-27-21)28-25(29)24-11-7-6-10-23(24)19-8-4-3-5-9-19/h3-13,17-18,22H,14-16H2,1-2H3,(H,28,29)/t22-/m1/s1
InChIKeySKLCVWHFBMGGEL-JOCHJYFZSA-N
MW406.96 g/mol
LogP6.18
Rot. Bonds8

About N-[(3R)-1-(5-chloro-2-pyridinyl)-5-methylhexan-3-yl]-2-phenylbenzamide

N-[(3R)-1-(5-chloro-2-pyridinyl)-5-methylhexan-3-yl]-2-phenylbenzamide (PubChem CID 160860689) has the molecular formula C25H27ClN2O and a molecular weight of 406.96 g/mol. Its IUPAC name is N-[(3R)-1-(5-chloro-2-pyridinyl)-5-methylhexan-3-yl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[(3R)-1-(5-chloro-2-pyridinyl)-5-methylhexan-3-yl]-2-phenylbenzamide
PubChem CID160860689
Molecular FormulaC25H27ClN2O
Molecular Weight406.96 g/mol
Exact Mass406.18
IUPAC NameN-[(3R)-1-(5-chloro-2-pyridinyl)-5-methylhexan-3-yl]-2-phenylbenzamide
SMILESCC(C)C[C@@H](CCc1ccc(Cl)cn1)NC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C25H27ClN2O/c1-18(2)16-22(15-14-21-13-12-20(26)17-27-21)28-25(29)24-11-7-6-10-23(24)19-8-4-3-5-9-19/h3-13,17-18,22H,14-16H2,1-2H3,(H,28,29)/t22-/m1/s1
InChIKeySKLCVWHFBMGGEL-JOCHJYFZSA-N
XLogP6.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.96
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-2-phenylbenzamide
CID 131985605
N-[3-(5-chloro-2-pyridinyl)propyl]-N-methyl-2-phenylbenzamide
CID 160508133
N-[1-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-2-yl]-N-methyl-2-phenylbenzamide
CID 131985638
N-[(2R)-1-amino-4-phenylbutan-2-yl]-2-phenylbenzamide
CID 68727278
N-[2-(5-chloro-2-pyridinyl)ethyl]-2-iodobenzamide
CID 71416436
2-phenyl-N-[(1R)-1-pyridin-2-ylpropyl]benzamide
CID 95191323
4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide
CID 39357973
N-[(2S)-1-amino-3-methylbutan-2-yl]-2-phenylbenzamide
CID 68724562
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
CID 119588453
N-(1-chloro-4-methylpentan-2-yl)-2-iodobenzamide
CID 114300843
2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 61246447
N-[(2R)-1-amino-3-phenylpropan-2-yl]-2-phenylbenzamide
CID 68724752

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(5-chloro-2-pyridinyl)-5-methylhexan-3-yl]-2-phenylbenzamide?
The IUPAC name of N-[(3R)-1-(5-chloro-2-pyridinyl)-5-methylhexan-3-yl]-2-phenylbenzamide (CID 160860689) is N-[(3R)-1-(5-chloro-2-pyridinyl)-5-methylhexan-3-yl]-2-phenylbenzamide.
What is the SMILES notation for N-[(3R)-1-(5-chloro-2-pyridinyl)-5-methylhexan-3-yl]-2-phenylbenzamide?
The canonical SMILES for N-[(3R)-1-(5-chloro-2-pyridinyl)-5-methylhexan-3-yl]-2-phenylbenzamide is CC(C)C[C@@H](CCc1ccc(Cl)cn1)NC(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[(3R)-1-(5-chloro-2-pyridinyl)-5-methylhexan-3-yl]-2-phenylbenzamide?
The InChIKey is SKLCVWHFBMGGEL-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H27ClN2O/c1-18(2)16-22(15-14-21-13-12-20(26)17-27-21)28-25(29)24-11-7-6-10-23(24)19-8-4-3-5-9-19/h3-13,17-18,22H,14-16H2,1-2H3,(H,28,29)/t22-/m1/s1.
What are the key properties of N-[(3R)-1-(5-chloro-2-pyridinyl)-5-methylhexan-3-yl]-2-phenylbenzamide?
N-[(3R)-1-(5-chloro-2-pyridinyl)-5-methylhexan-3-yl]-2-phenylbenzamide has a molecular weight of 406.96 g/mol, XLogP of 6.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(5-chloro-2-pyridinyl)-5-methylhexan-3-yl]-2-phenylbenzamide is sourced from PubChem (CID 160860689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).