(4-bromophenyl)methyl-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylazanium

C17H18BrClN3O2+ — CID 2698673

IUPAC(4-bromophenyl)methyl-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NNC(=O)c1ccc(Cl)cc1)Cc1ccc(Br)cc1
InChIInChI=1S/C17H17BrClN3O2/c1-22(10-12-2-6-14(18)7-3-12)11-16(23)20-21-17(24)13-4-8-15(19)9-5-13/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24)/p+1
InChIKeyXJVZPAYPRRGECH-UHFFFAOYSA-O
MW411.71 g/mol
LogP1.58
Rot. Bonds5

About (4-bromophenyl)methyl-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylazanium

(4-bromophenyl)methyl-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylazanium (PubChem CID 2698673) has the molecular formula C17H18BrClN3O2+ and a molecular weight of 411.71 g/mol. Its IUPAC name is (4-bromophenyl)methyl-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(4-bromophenyl)methyl-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylazanium
PubChem CID2698673
Molecular FormulaC17H18BrClN3O2+
Molecular Weight411.71 g/mol
Exact Mass410.03
IUPAC Name(4-bromophenyl)methyl-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NNC(=O)c1ccc(Cl)cc1)Cc1ccc(Br)cc1
InChIInChI=1S/C17H17BrClN3O2/c1-22(10-12-2-6-14(18)7-3-12)11-16(23)20-21-17(24)13-4-8-15(19)9-5-13/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24)/p+1
InChIKeyXJVZPAYPRRGECH-UHFFFAOYSA-O
XLogP1.58
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.71
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-chlorobenzohydrazide
CID 2698674
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 8005973
4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 4811581
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9124780
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[2-(4-chlorophenoxy)ethyl]-methylazanium
CID 9252186
N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936719
4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide
CID 78876899
(4-bromophenyl)methyl-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium
CID 9039953
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028149
N'-(4-chlorobenzoyl)-4-propylbenzohydrazide
CID 765467
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 2555475
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
CID 3361883

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylazanium?
The IUPAC name of (4-bromophenyl)methyl-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylazanium (CID 2698673) is (4-bromophenyl)methyl-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylazanium.
What is the SMILES notation for (4-bromophenyl)methyl-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylazanium?
The canonical SMILES for (4-bromophenyl)methyl-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylazanium is C[NH+](CC(=O)NNC(=O)c1ccc(Cl)cc1)Cc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methyl-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylazanium?
The InChIKey is XJVZPAYPRRGECH-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H17BrClN3O2/c1-22(10-12-2-6-14(18)7-3-12)11-16(23)20-21-17(24)13-4-8-15(19)9-5-13/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24)/p+1.
What are the key properties of (4-bromophenyl)methyl-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylazanium?
(4-bromophenyl)methyl-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylazanium has a molecular weight of 411.71 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 2698673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).