3-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]-N-(2-methylpropyl)benzamide

C29H28Cl2N2O2 — CID 17058010

IUPAC3-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(NCc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)c1
InChIInChI=1S/C29H28Cl2N2O2/c1-19(2)16-33-29(34)21-7-5-8-24(14-21)32-17-26-25-9-4-3-6-20(25)11-13-28(26)35-18-22-10-12-23(30)15-27(22)31/h3-15,19,32H,16-18H2,1-2H3,(H,33,34)
InChIKeyCDLJRGCAGXHHGN-UHFFFAOYSA-N
MW507.46 g/mol
LogP7.72
Rot. Bonds9

About 3-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]-N-(2-methylpropyl)benzamide

3-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]-N-(2-methylpropyl)benzamide (PubChem CID 17058010) has the molecular formula C29H28Cl2N2O2 and a molecular weight of 507.46 g/mol. Its IUPAC name is 3-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]-N-(2-methylpropyl)benzamide
PubChem CID17058010
Molecular FormulaC29H28Cl2N2O2
Molecular Weight507.46 g/mol
Exact Mass506.15
IUPAC Name3-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(NCc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)c1
InChIInChI=1S/C29H28Cl2N2O2/c1-19(2)16-33-29(34)21-7-5-8-24(14-21)32-17-26-25-9-4-3-6-20(25)11-13-28(26)35-18-22-10-12-23(30)15-27(22)31/h3-15,19,32H,16-18H2,1-2H3,(H,33,34)
InChIKeyCDLJRGCAGXHHGN-UHFFFAOYSA-N
XLogP7.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.46
LogP ≤ 57.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-N-(2-methylpropyl)benzamide
CID 17058200
(2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
CID 40726488
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 4715514
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 17294824
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 17208850
2-[2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17294818
3-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]-N-(2-methylpropyl)benzamide
CID 17058003
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 17294819
2-[3-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propylamino]ethanol
CID 17214071
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209602
4-amino-N-[2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 4718297
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride
CID 17291175

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]-N-(2-methylpropyl)benzamide (CID 17058010) is 3-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cccc(NCc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)c1.
What is the InChIKey of 3-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]-N-(2-methylpropyl)benzamide?
The InChIKey is CDLJRGCAGXHHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl2N2O2/c1-19(2)16-33-29(34)21-7-5-8-24(14-21)32-17-26-25-9-4-3-6-20(25)11-13-28(26)35-18-22-10-12-23(30)15-27(22)31/h3-15,19,32H,16-18H2,1-2H3,(H,33,34).
What are the key properties of 3-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]-N-(2-methylpropyl)benzamide?
3-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]-N-(2-methylpropyl)benzamide has a molecular weight of 507.46 g/mol, XLogP of 7.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 17058010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).