N-(4-amino-3-bromo-2,5-dichlorophenyl)-2-methylpropanamide

C10H11BrCl2N2O — CID 50881245

IUPACN-(4-amino-3-bromo-2,5-dichlorophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(Cl)c(N)c(Br)c1Cl
InChIInChI=1S/C10H11BrCl2N2O/c1-4(2)10(16)15-6-3-5(12)9(14)7(11)8(6)13/h3-4H,14H2,1-2H3,(H,15,16)
InChIKeySDIAASOALGLCMX-UHFFFAOYSA-N
MW326.02 g/mol
LogP3.93
Rot. Bonds2

About N-(4-amino-3-bromo-2,5-dichlorophenyl)-2-methylpropanamide

N-(4-amino-3-bromo-2,5-dichlorophenyl)-2-methylpropanamide (PubChem CID 50881245) has the molecular formula C10H11BrCl2N2O and a molecular weight of 326.02 g/mol. Its IUPAC name is N-(4-amino-3-bromo-2,5-dichlorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-amino-3-bromo-2,5-dichlorophenyl)-2-methylpropanamide
PubChem CID50881245
Molecular FormulaC10H11BrCl2N2O
Molecular Weight326.02 g/mol
Exact Mass323.94
IUPAC NameN-(4-amino-3-bromo-2,5-dichlorophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(Cl)c(N)c(Br)c1Cl
InChIInChI=1S/C10H11BrCl2N2O/c1-4(2)10(16)15-6-3-5(12)9(14)7(11)8(6)13/h3-4H,14H2,1-2H3,(H,15,16)
InChIKeySDIAASOALGLCMX-UHFFFAOYSA-N
XLogP3.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.02
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-3-chlorophenyl)-2-methylpropanamide
CID 103479781
N-(5-chloro-2,4-disulfamoylphenyl)-2-methylpropanamide
CID 71418116
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide
CID 46568251
2-amino-N-(2-bromo-5-chlorophenyl)propanamide
CID 81270376
N-(2-amino-5-chloro-4-methylphenyl)-2-chloropropanamide
CID 11630154
N-(2-amino-4-hydroxyphenyl)-2-methylpropanamide
CID 107697096
N-(4-amino-2-methylphenyl)-2-methylpropanamide
CID 960642
(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-3,3-dimethylbutanamide
CID 113445501
(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide
CID 104723589
(2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide
CID 104723691
N-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide
CID 103479982

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-bromo-2,5-dichlorophenyl)-2-methylpropanamide?
The IUPAC name of N-(4-amino-3-bromo-2,5-dichlorophenyl)-2-methylpropanamide (CID 50881245) is N-(4-amino-3-bromo-2,5-dichlorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(4-amino-3-bromo-2,5-dichlorophenyl)-2-methylpropanamide?
The canonical SMILES for N-(4-amino-3-bromo-2,5-dichlorophenyl)-2-methylpropanamide is CC(C)C(=O)Nc1cc(Cl)c(N)c(Br)c1Cl.
What is the InChIKey of N-(4-amino-3-bromo-2,5-dichlorophenyl)-2-methylpropanamide?
The InChIKey is SDIAASOALGLCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrCl2N2O/c1-4(2)10(16)15-6-3-5(12)9(14)7(11)8(6)13/h3-4H,14H2,1-2H3,(H,15,16).
What are the key properties of N-(4-amino-3-bromo-2,5-dichlorophenyl)-2-methylpropanamide?
N-(4-amino-3-bromo-2,5-dichlorophenyl)-2-methylpropanamide has a molecular weight of 326.02 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-bromo-2,5-dichlorophenyl)-2-methylpropanamide is sourced from PubChem (CID 50881245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).