N-(2,6-dibromo-4-nitrophenyl)-2-(dimethylamino)acetamide

C10H11Br2N3O3 — CID 3630388

IUPACN-(2,6-dibromo-4-nitrophenyl)-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br
InChIInChI=1S/C10H11Br2N3O3/c1-14(2)5-9(16)13-10-7(11)3-6(15(17)18)4-8(10)12/h3-4H,5H2,1-2H3,(H,13,16)
InChIKeyMFGPZRLQWBMFCR-UHFFFAOYSA-N
MW381.02 g/mol
LogP2.62
Rot. Bonds4

About N-(2,6-dibromo-4-nitrophenyl)-2-(dimethylamino)acetamide

N-(2,6-dibromo-4-nitrophenyl)-2-(dimethylamino)acetamide (PubChem CID 3630388) has the molecular formula C10H11Br2N3O3 and a molecular weight of 381.02 g/mol. Its IUPAC name is N-(2,6-dibromo-4-nitrophenyl)-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-nitrophenyl)-2-(dimethylamino)acetamide
PubChem CID3630388
Molecular FormulaC10H11Br2N3O3
Molecular Weight381.02 g/mol
Exact Mass378.92
IUPAC NameN-(2,6-dibromo-4-nitrophenyl)-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br
InChIInChI=1S/C10H11Br2N3O3/c1-14(2)5-9(16)13-10-7(11)3-6(15(17)18)4-8(10)12/h3-4H,5H2,1-2H3,(H,13,16)
InChIKeyMFGPZRLQWBMFCR-UHFFFAOYSA-N
XLogP2.62
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.02
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] propanoate
CID 7851463
N-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide
CID 11043415
N-(2,6-dibromo-4-nitrophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525733
N-(2,6-dibromo-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526405
N-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19515910
(2,6-dibromo-4-nitrophenyl)thiourea
CID 3776125
2,6-dibromo-N-methyl-4-nitroaniline
CID 67155784
[2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] carbamimidothioate
CID 3722374
2-(4-chloropyrazol-1-yl)-N-(2,6-dibromo-4-nitrophenyl)acetamide
CID 19524825
N-(2-bromo-4-nitrophenyl)-2-[butyl(methyl)amino]acetamide
CID 31477713
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-3,5-dinitrobenzamide
CID 26896533
[2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
CID 24686669

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-nitrophenyl)-2-(dimethylamino)acetamide?
The IUPAC name of N-(2,6-dibromo-4-nitrophenyl)-2-(dimethylamino)acetamide (CID 3630388) is N-(2,6-dibromo-4-nitrophenyl)-2-(dimethylamino)acetamide.
What is the SMILES notation for N-(2,6-dibromo-4-nitrophenyl)-2-(dimethylamino)acetamide?
The canonical SMILES for N-(2,6-dibromo-4-nitrophenyl)-2-(dimethylamino)acetamide is CN(C)CC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br.
What is the InChIKey of N-(2,6-dibromo-4-nitrophenyl)-2-(dimethylamino)acetamide?
The InChIKey is MFGPZRLQWBMFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2N3O3/c1-14(2)5-9(16)13-10-7(11)3-6(15(17)18)4-8(10)12/h3-4H,5H2,1-2H3,(H,13,16).
What are the key properties of N-(2,6-dibromo-4-nitrophenyl)-2-(dimethylamino)acetamide?
N-(2,6-dibromo-4-nitrophenyl)-2-(dimethylamino)acetamide has a molecular weight of 381.02 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-nitrophenyl)-2-(dimethylamino)acetamide is sourced from PubChem (CID 3630388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).