2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide

C10H11BrClFN2O — CID 107611878

IUPAC2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C10H11BrClFN2O/c1-10(2,14)9(16)15-8-6(11)3-5(13)4-7(8)12/h3-4H,14H2,1-2H3,(H,15,16)
InChIKeyXRPOCIVPPJSZSL-UHFFFAOYSA-N
MW309.57 g/mol
LogP2.92
Rot. Bonds2

About 2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide

2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide (PubChem CID 107611878) has the molecular formula C10H11BrClFN2O and a molecular weight of 309.57 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide
PubChem CID107611878
Molecular FormulaC10H11BrClFN2O
Molecular Weight309.57 g/mol
Exact Mass307.97
IUPAC Name2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C10H11BrClFN2O/c1-10(2,14)9(16)15-8-6(11)3-5(13)4-7(8)12/h3-4H,14H2,1-2H3,(H,15,16)
InChIKeyXRPOCIVPPJSZSL-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.57
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 107612461
4-(2-bromo-6-chloro-4-fluoroanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 107609248
N-(2-bromo-6-chloro-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 107612455
3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 107614461
(2R)-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 107614557
N-(2-bromo-6-chloro-4-fluorophenyl)prop-2-ynamide
CID 107612535
2-amino-N-(2-bromo-4,6-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79796967
N-(2-bromo-6-chloro-4-fluorophenyl)-4-oxopentanamide
CID 107612048
3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 83079158
4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide
CID 107612502
(2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide
CID 107611929
3-(2-bromo-6-chloro-4-fluoroanilino)propanamide
CID 107611377

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide?
The IUPAC name of 2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide (CID 107611878) is 2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide is CC(C)(N)C(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of 2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide?
The InChIKey is XRPOCIVPPJSZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClFN2O/c1-10(2,14)9(16)15-8-6(11)3-5(13)4-7(8)12/h3-4H,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide?
2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide has a molecular weight of 309.57 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 107611878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).