N-(4-bromo-2-chlorophenyl)-2-methyl-3-(methylamino)propanamide

C11H14BrClN2O — CID 79196244

IUPACN-(4-bromo-2-chlorophenyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C11H14BrClN2O/c1-7(6-14-2)11(16)15-10-4-3-8(12)5-9(10)13/h3-5,7,14H,6H2,1-2H3,(H,15,16)
InChIKeyJWRRXTUJDDEFTG-UHFFFAOYSA-N
MW305.60 g/mol
LogP2.90
Rot. Bonds4

About N-(4-bromo-2-chlorophenyl)-2-methyl-3-(methylamino)propanamide

N-(4-bromo-2-chlorophenyl)-2-methyl-3-(methylamino)propanamide (PubChem CID 79196244) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-methyl-3-(methylamino)propanamide
PubChem CID79196244
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C11H14BrClN2O/c1-7(6-14-2)11(16)15-10-4-3-8(12)5-9(10)13/h3-5,7,14H,6H2,1-2H3,(H,15,16)
InChIKeyJWRRXTUJDDEFTG-UHFFFAOYSA-N
XLogP2.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119727073
3-[(4-bromo-2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid
CID 62668651
N-(4-bromo-2-chlorophenyl)-2-ethylbutanamide
CID 17312049
1-(4-bromo-2-chlorophenyl)-3-methylurea
CID 21161446
N-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide
CID 114001833
N-[5-bromo-2-(dimethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196694
2-[(4-bromo-2-chlorophenyl)carbamoylamino]butanoic acid
CID 61195408
N-(4-bromo-2-chlorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76924610
methyl 3-(4-bromo-2-chloroanilino)-2-methylpropanoate
CID 43538645
N-(4-bromo-2-chlorophenyl)-2-(3-bromophenoxy)propanamide
CID 53267481
(2R)-2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005382
N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195653

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-methyl-3-(methylamino)propanamide (CID 79196244) is N-(4-bromo-2-chlorophenyl)-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-methyl-3-(methylamino)propanamide?
The InChIKey is JWRRXTUJDDEFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c1-7(6-14-2)11(16)15-10-4-3-8(12)5-9(10)13/h3-5,7,14H,6H2,1-2H3,(H,15,16).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-methyl-3-(methylamino)propanamide?
N-(4-bromo-2-chlorophenyl)-2-methyl-3-(methylamino)propanamide has a molecular weight of 305.60 g/mol, XLogP of 2.90, 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-chlorophenyl)-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 79196244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).