3-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methylpropanamide

C10H11BrCl2N2O — CID 62671003

IUPAC3-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H11BrCl2N2O/c1-5(4-14)10(16)15-9-7(12)2-6(11)3-8(9)13/h2-3,5H,4,14H2,1H3,(H,15,16)
InChIKeyOUKQZHCXXJAMCO-UHFFFAOYSA-N
MW326.02 g/mol
LogP3.29
Rot. Bonds3

About 3-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methylpropanamide

3-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methylpropanamide (PubChem CID 62671003) has the molecular formula C10H11BrCl2N2O and a molecular weight of 326.02 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methylpropanamide
PubChem CID62671003
Molecular FormulaC10H11BrCl2N2O
Molecular Weight326.02 g/mol
Exact Mass323.94
IUPAC Name3-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H11BrCl2N2O/c1-5(4-14)10(16)15-9-7(12)2-6(11)3-8(9)13/h2-3,5H,4,14H2,1H3,(H,15,16)
InChIKeyOUKQZHCXXJAMCO-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.02
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(4-bromo-2,6-dichlorophenyl)-3-methylbutanamide
CID 28993455
N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270
2-[(3-amino-2-methylpropanoyl)amino]-3,5-dibromobenzoic acid
CID 63112369
2-[(3-amino-2-methylpropanoyl)amino]-3,5-dichlorobenzoic acid
CID 62670541
3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide
CID 62670664
2-amino-N-(4-bromo-2,6-dichlorophenyl)-4-methoxybutanamide
CID 62474980
3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide
CID 62669244
2-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]-4-methylpentanoic acid
CID 61186263
ethyl 2-(4-bromo-2,6-dichloroanilino)-2-oxoacetate
CID 60893377
3-(4-bromo-2,6-dichlorophenyl)-1,1-dimethylurea
CID 116654094
3-amino-N-(4-bromo-2,6-dichlorophenyl)-3-sulfanylidenepropanamide
CID 28993502
3-amino-N-(2,3-dichlorophenyl)-2-methylpropanamide
CID 62669970

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methylpropanamide?
The IUPAC name of 3-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methylpropanamide (CID 62671003) is 3-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methylpropanamide is CC(CN)C(=O)Nc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 3-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methylpropanamide?
The InChIKey is OUKQZHCXXJAMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrCl2N2O/c1-5(4-14)10(16)15-9-7(12)2-6(11)3-8(9)13/h2-3,5H,4,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methylpropanamide?
3-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methylpropanamide has a molecular weight of 326.02 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methylpropanamide is sourced from PubChem (CID 62671003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).