[3-[(5-chloro-2-phenylmethoxybenzoyl)amino]-2-methylpropyl]-dimethylazanium

C20H26ClN2O2+ — CID 84838759

IUPAC[3-[(5-chloro-2-phenylmethoxybenzoyl)amino]-2-methylpropyl]-dimethylazanium
SMILESCC(CNC(=O)c1cc(Cl)ccc1OCc1ccccc1)C[NH+](C)C
InChIInChI=1S/C20H25ClN2O2/c1-15(13-23(2)3)12-22-20(24)18-11-17(21)9-10-19(18)25-14-16-7-5-4-6-8-16/h4-11,15H,12-14H2,1-3H3,(H,22,24)/p+1
InChIKeyASWHMRBMMHPQNT-UHFFFAOYSA-O
MW361.89 g/mol
LogP2.43
Rot. Bonds8

About [3-[(5-chloro-2-phenylmethoxybenzoyl)amino]-2-methylpropyl]-dimethylazanium

[3-[(5-chloro-2-phenylmethoxybenzoyl)amino]-2-methylpropyl]-dimethylazanium (PubChem CID 84838759) has the molecular formula C20H26ClN2O2+ and a molecular weight of 361.89 g/mol. Its IUPAC name is [3-[(5-chloro-2-phenylmethoxybenzoyl)amino]-2-methylpropyl]-dimethylazanium.

Molecular Properties

Compound Name[3-[(5-chloro-2-phenylmethoxybenzoyl)amino]-2-methylpropyl]-dimethylazanium
PubChem CID84838759
Molecular FormulaC20H26ClN2O2+
Molecular Weight361.89 g/mol
Exact Mass361.17
IUPAC Name[3-[(5-chloro-2-phenylmethoxybenzoyl)amino]-2-methylpropyl]-dimethylazanium
SMILESCC(CNC(=O)c1cc(Cl)ccc1OCc1ccccc1)C[NH+](C)C
InChIInChI=1S/C20H25ClN2O2/c1-15(13-23(2)3)12-22-20(24)18-11-17(21)9-10-19(18)25-14-16-7-5-4-6-8-16/h4-11,15H,12-14H2,1-3H3,(H,22,24)/p+1
InChIKeyASWHMRBMMHPQNT-UHFFFAOYSA-O
XLogP2.43
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.89
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]-3-methylbutanoic acid
CID 120689709
5-chloro-N,N-diethyl-2-phenylmethoxybenzamide
CID 8799985
5-chloro-2-(2-chloroethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 142875477
N-(3-amino-2-methylpropyl)-5-chloro-2-propoxybenzamide;hydrochloride
CID 119996312
2-phenylmethoxy-N-(2-phenylpropyl)benzamide
CID 133164529
5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide
CID 66109284
5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide
CID 114306224
2-butoxy-5-chloro-N-(2-phenylethyl)benzamide
CID 123526498
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzamide
CID 8799672
N-(5-chloro-2-methylphenyl)-2-phenylmethoxybenzamide
CID 4946400
5-chloro-N-(2-cyanoethyl)-N-methyl-2-phenylmethoxybenzamide
CID 8813101
[2-[3-chloro-4-[[5-chloro-2-[(3-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetyl] 2-[3-chloro-4-[(5-chloro-2-phenylmethoxybenzoyl)amino]phenyl]acetate
CID 91243826

Frequently Asked Questions

What is the IUPAC name of [3-[(5-chloro-2-phenylmethoxybenzoyl)amino]-2-methylpropyl]-dimethylazanium?
The IUPAC name of [3-[(5-chloro-2-phenylmethoxybenzoyl)amino]-2-methylpropyl]-dimethylazanium (CID 84838759) is [3-[(5-chloro-2-phenylmethoxybenzoyl)amino]-2-methylpropyl]-dimethylazanium.
What is the SMILES notation for [3-[(5-chloro-2-phenylmethoxybenzoyl)amino]-2-methylpropyl]-dimethylazanium?
The canonical SMILES for [3-[(5-chloro-2-phenylmethoxybenzoyl)amino]-2-methylpropyl]-dimethylazanium is CC(CNC(=O)c1cc(Cl)ccc1OCc1ccccc1)C[NH+](C)C.
What is the InChIKey of [3-[(5-chloro-2-phenylmethoxybenzoyl)amino]-2-methylpropyl]-dimethylazanium?
The InChIKey is ASWHMRBMMHPQNT-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25ClN2O2/c1-15(13-23(2)3)12-22-20(24)18-11-17(21)9-10-19(18)25-14-16-7-5-4-6-8-16/h4-11,15H,12-14H2,1-3H3,(H,22,24)/p+1.
What are the key properties of [3-[(5-chloro-2-phenylmethoxybenzoyl)amino]-2-methylpropyl]-dimethylazanium?
[3-[(5-chloro-2-phenylmethoxybenzoyl)amino]-2-methylpropyl]-dimethylazanium has a molecular weight of 361.89 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-chloro-2-phenylmethoxybenzoyl)amino]-2-methylpropyl]-dimethylazanium is sourced from PubChem (CID 84838759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).