2-[(3-chlorobenzoyl)amino]ethyl-dimethylazanium chloride

C11H16Cl2N2O — CID 18531817

IUPAC2-[(3-chlorobenzoyl)amino]ethyl-dimethylazanium chloride
SMILESC[NH+](C)CCNC(=O)c1cccc(Cl)c1.[Cl-]
InChIInChI=1S/C11H15ClN2O.ClH/c1-14(2)7-6-13-11(15)9-4-3-5-10(12)8-9;/h3-5,8H,6-7H2,1-2H3,(H,13,15);1H
InChIKeyJTSZUBGGHTUSCB-UHFFFAOYSA-N
MW263.17 g/mol
LogP-2.78
Rot. Bonds4

About 2-[(3-chlorobenzoyl)amino]ethyl-dimethylazanium chloride

2-[(3-chlorobenzoyl)amino]ethyl-dimethylazanium chloride (PubChem CID 18531817) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is 2-[(3-chlorobenzoyl)amino]ethyl-dimethylazanium chloride.

Molecular Properties

Compound Name2-[(3-chlorobenzoyl)amino]ethyl-dimethylazanium chloride
PubChem CID18531817
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Name2-[(3-chlorobenzoyl)amino]ethyl-dimethylazanium chloride
SMILESC[NH+](C)CCNC(=O)c1cccc(Cl)c1.[Cl-]
InChIInChI=1S/C11H15ClN2O.ClH/c1-14(2)7-6-13-11(15)9-4-3-5-10(12)8-9;/h3-5,8H,6-7H2,1-2H3,(H,13,15);1H
InChIKeyJTSZUBGGHTUSCB-UHFFFAOYSA-N
XLogP-2.78
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 5-2.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108571437
2-[[2-(3-chloroanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 7292713
N-[(Z)-3-aminopent-3-enyl]-3-chlorobenzamide
CID 118524324
tert-butyl N-[4-[(3-chlorobenzoyl)amino]butyl]carbamate
CID 139824741
methyl 6-[(3-chlorobenzoyl)amino]hexanoate
CID 43404554
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
3-[(3-chloro-4-methylbenzoyl)amino]propyl-dimethylazanium
CID 2261401
N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide
CID 113052148
3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 16889424
3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442007
N-[3-[(3-chlorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide
CID 6498652

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorobenzoyl)amino]ethyl-dimethylazanium chloride?
The IUPAC name of 2-[(3-chlorobenzoyl)amino]ethyl-dimethylazanium chloride (CID 18531817) is 2-[(3-chlorobenzoyl)amino]ethyl-dimethylazanium chloride.
What is the SMILES notation for 2-[(3-chlorobenzoyl)amino]ethyl-dimethylazanium chloride?
The canonical SMILES for 2-[(3-chlorobenzoyl)amino]ethyl-dimethylazanium chloride is C[NH+](C)CCNC(=O)c1cccc(Cl)c1.[Cl-].
What is the InChIKey of 2-[(3-chlorobenzoyl)amino]ethyl-dimethylazanium chloride?
The InChIKey is JTSZUBGGHTUSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O.ClH/c1-14(2)7-6-13-11(15)9-4-3-5-10(12)8-9;/h3-5,8H,6-7H2,1-2H3,(H,13,15);1H.
What are the key properties of 2-[(3-chlorobenzoyl)amino]ethyl-dimethylazanium chloride?
2-[(3-chlorobenzoyl)amino]ethyl-dimethylazanium chloride has a molecular weight of 263.17 g/mol, XLogP of -2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorobenzoyl)amino]ethyl-dimethylazanium chloride is sourced from PubChem (CID 18531817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).