N-(4-bromo-2,3-dichlorophenyl)-2-(ethylamino)-2-methylpropanamide

C12H15BrCl2N2O — CID 114001853

IUPACN-(4-bromo-2,3-dichlorophenyl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C12H15BrCl2N2O/c1-4-16-12(2,3)11(18)17-8-6-5-7(13)9(14)10(8)15/h5-6,16H,4H2,1-3H3,(H,17,18)
InChIKeyRXOCMFMIQGNVFC-UHFFFAOYSA-N
MW354.08 g/mol
LogP4.08
Rot. Bonds4

About N-(4-bromo-2,3-dichlorophenyl)-2-(ethylamino)-2-methylpropanamide

N-(4-bromo-2,3-dichlorophenyl)-2-(ethylamino)-2-methylpropanamide (PubChem CID 114001853) has the molecular formula C12H15BrCl2N2O and a molecular weight of 354.08 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-2-(ethylamino)-2-methylpropanamide
PubChem CID114001853
Molecular FormulaC12H15BrCl2N2O
Molecular Weight354.08 g/mol
Exact Mass351.97
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C12H15BrCl2N2O/c1-4-16-12(2,3)11(18)17-8-6-5-7(13)9(14)10(8)15/h5-6,16H,4H2,1-3H3,(H,17,18)
InChIKeyRXOCMFMIQGNVFC-UHFFFAOYSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.08
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide
CID 107788653
N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 22462548
N-(2-chloro-5-iodophenyl)-2-(ethylamino)-2-methylpropanamide
CID 114259790
N-(4-bromo-2-fluorophenyl)-2-(ethylamino)-2-methylpropanamide
CID 55121126
4-(4-bromo-2,3-dichloroanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 113428627
N-(4-bromo-2,3-dichlorophenyl)-3-(ethylamino)propanamide
CID 107790244
N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)-2-methylpropanamide
CID 104727045
methyl 5-chloro-2-[[2-(ethylamino)-2-methylpropanoyl]amino]benzoate
CID 62832150
N-[3-bromo-2-(methoxymethyl)phenyl]-2-(ethylamino)-2-methylpropanamide
CID 62836118
N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)acetamide
CID 107790226
N-(4-bromo-2,3-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 107793423
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-5-iodobenzoic acid
CID 63111693

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-2-(ethylamino)-2-methylpropanamide (CID 114001853) is N-(4-bromo-2,3-dichlorophenyl)-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-2-(ethylamino)-2-methylpropanamide is CCNC(C)(C)C(=O)Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-2-(ethylamino)-2-methylpropanamide?
The InChIKey is RXOCMFMIQGNVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrCl2N2O/c1-4-16-12(2,3)11(18)17-8-6-5-7(13)9(14)10(8)15/h5-6,16H,4H2,1-3H3,(H,17,18).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-2-(ethylamino)-2-methylpropanamide?
N-(4-bromo-2,3-dichlorophenyl)-2-(ethylamino)-2-methylpropanamide has a molecular weight of 354.08 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-2-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 114001853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).