2-[[4-chloro-3-(4-phenylphenyl)benzoyl]amino]ethyl-trimethylazanium

C24H26ClN2O+ — CID 68551333

IUPAC2-[[4-chloro-3-(4-phenylphenyl)benzoyl]amino]ethyl-trimethylazanium
SMILESC[N+](C)(C)CCNC(=O)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C24H25ClN2O/c1-27(2,3)16-15-26-24(28)21-13-14-23(25)22(17-21)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-14,17H,15-16H2,1-3H3/p+1
InChIKeyHCQSFCGMDSBQRX-UHFFFAOYSA-O
MW393.94 g/mol
LogP5.11
Rot. Bonds6

About 2-[[4-chloro-3-(4-phenylphenyl)benzoyl]amino]ethyl-trimethylazanium

2-[[4-chloro-3-(4-phenylphenyl)benzoyl]amino]ethyl-trimethylazanium (PubChem CID 68551333) has the molecular formula C24H26ClN2O+ and a molecular weight of 393.94 g/mol. Its IUPAC name is 2-[[4-chloro-3-(4-phenylphenyl)benzoyl]amino]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[[4-chloro-3-(4-phenylphenyl)benzoyl]amino]ethyl-trimethylazanium
PubChem CID68551333
Molecular FormulaC24H26ClN2O+
Molecular Weight393.94 g/mol
Exact Mass393.17
IUPAC Name2-[[4-chloro-3-(4-phenylphenyl)benzoyl]amino]ethyl-trimethylazanium
SMILESC[N+](C)(C)CCNC(=O)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C24H25ClN2O/c1-27(2,3)16-15-26-24(28)21-13-14-23(25)22(17-21)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-14,17H,15-16H2,1-3H3/p+1
InChIKeyHCQSFCGMDSBQRX-UHFFFAOYSA-O
XLogP5.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.94
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 58791112
4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 58791127
1-(4-chloro-3-phenylphenyl)propan-1-one
CID 71113096
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylphenyl)benzamide
CID 91399310
tert-butyl 4-[[[4-chloro-3-(4-phenylphenyl)benzoyl]amino]methyl]piperidine-1-carboxylate
CID 58791136
4-chloro-N-(2-methylsulfanylpyrimidin-5-yl)-3-(4-phenylphenyl)benzamide
CID 11690553
4-chloro-N-(2-methoxypyrimidin-5-yl)-3-(4-phenylphenyl)benzamide
CID 11546154
4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide
CID 11523880
4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)benzamide
CID 58791104
2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 108570885
4-chloro-3-(4-pyridin-2-ylphenyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 90962718
N-butyl-4-phenylbenzamide
CID 3637649

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-(4-phenylphenyl)benzoyl]amino]ethyl-trimethylazanium?
The IUPAC name of 2-[[4-chloro-3-(4-phenylphenyl)benzoyl]amino]ethyl-trimethylazanium (CID 68551333) is 2-[[4-chloro-3-(4-phenylphenyl)benzoyl]amino]ethyl-trimethylazanium.
What is the SMILES notation for 2-[[4-chloro-3-(4-phenylphenyl)benzoyl]amino]ethyl-trimethylazanium?
The canonical SMILES for 2-[[4-chloro-3-(4-phenylphenyl)benzoyl]amino]ethyl-trimethylazanium is C[N+](C)(C)CCNC(=O)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 2-[[4-chloro-3-(4-phenylphenyl)benzoyl]amino]ethyl-trimethylazanium?
The InChIKey is HCQSFCGMDSBQRX-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H25ClN2O/c1-27(2,3)16-15-26-24(28)21-13-14-23(25)22(17-21)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-14,17H,15-16H2,1-3H3/p+1.
What are the key properties of 2-[[4-chloro-3-(4-phenylphenyl)benzoyl]amino]ethyl-trimethylazanium?
2-[[4-chloro-3-(4-phenylphenyl)benzoyl]amino]ethyl-trimethylazanium has a molecular weight of 393.94 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(4-phenylphenyl)benzoyl]amino]ethyl-trimethylazanium is sourced from PubChem (CID 68551333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).