3-amino-N-(4-bromo-2-chlorophenyl)-3-methylbutanamide

C11H14BrClN2O — CID 64684964

IUPAC3-amino-N-(4-bromo-2-chlorophenyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C11H14BrClN2O/c1-11(2,14)6-10(16)15-9-4-3-7(12)5-8(9)13/h3-5H,6,14H2,1-2H3,(H,15,16)
InChIKeyASXPZKKMGCCJPS-UHFFFAOYSA-N
MW305.60 g/mol
LogP3.17
Rot. Bonds3

About 3-amino-N-(4-bromo-2-chlorophenyl)-3-methylbutanamide

3-amino-N-(4-bromo-2-chlorophenyl)-3-methylbutanamide (PubChem CID 64684964) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2-chlorophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2-chlorophenyl)-3-methylbutanamide
PubChem CID64684964
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name3-amino-N-(4-bromo-2-chlorophenyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C11H14BrClN2O/c1-11(2,14)6-10(16)15-9-4-3-7(12)5-8(9)13/h3-5H,6,14H2,1-2H3,(H,15,16)
InChIKeyASXPZKKMGCCJPS-UHFFFAOYSA-N
XLogP3.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-chlorophenyl)-2-hydroxyacetamide
CID 43558842
N-(4-bromo-2-chlorophenyl)-2-tert-butylsulfanylacetamide
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N-(4-bromo-2-chlorophenyl)-2-(4-bromophenyl)acetamide
CID 7924446
(4-bromo-2-chlorophenyl)urea
CID 60759349
2-[[2-(4-bromo-2-chloroanilino)-2-oxoethyl]amino]propanoic acid
CID 43466879
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CID 43347407
N-(4-bromo-2-chlorophenyl)-2-(4-chlorophenyl)acetamide
CID 1310243
N-(4-bromo-2-chlorophenyl)-2-(1,2,4-triazol-4-yl)acetamide
CID 166188233
N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 884679
N-(4-bromo-2-chlorophenyl)-3-(propan-2-ylamino)propanamide
CID 54925056
N-(4-bromo-2-chlorophenyl)-2-(prop-2-ynylamino)acetamide
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1-(4-bromo-2-chlorophenyl)-3-methylurea
CID 21161446

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2-chlorophenyl)-3-methylbutanamide?
The IUPAC name of 3-amino-N-(4-bromo-2-chlorophenyl)-3-methylbutanamide (CID 64684964) is 3-amino-N-(4-bromo-2-chlorophenyl)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2-chlorophenyl)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(4-bromo-2-chlorophenyl)-3-methylbutanamide is CC(C)(N)CC(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of 3-amino-N-(4-bromo-2-chlorophenyl)-3-methylbutanamide?
The InChIKey is ASXPZKKMGCCJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c1-11(2,14)6-10(16)15-9-4-3-7(12)5-8(9)13/h3-5H,6,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-(4-bromo-2-chlorophenyl)-3-methylbutanamide?
3-amino-N-(4-bromo-2-chlorophenyl)-3-methylbutanamide has a molecular weight of 305.60 g/mol, XLogP of 3.17, 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-chlorophenyl)-3-methylbutanamide is sourced from PubChem (CID 64684964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).