N-(2-bromo-5-chlorophenyl)-2-methylbutanamide

C11H13BrClNO — CID 81271698

IUPACN-(2-bromo-5-chlorophenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C11H13BrClNO/c1-3-7(2)11(15)14-10-6-8(13)4-5-9(10)12/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyVLEGAAGKZMUBLM-UHFFFAOYSA-N
MW290.59 g/mol
LogP4.09
Rot. Bonds3

About N-(2-bromo-5-chlorophenyl)-2-methylbutanamide

N-(2-bromo-5-chlorophenyl)-2-methylbutanamide (PubChem CID 81271698) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-2-methylbutanamide
PubChem CID81271698
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC NameN-(2-bromo-5-chlorophenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C11H13BrClNO/c1-3-7(2)11(15)14-10-6-8(13)4-5-9(10)12/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyVLEGAAGKZMUBLM-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-5-chlorophenyl)-2-methylpentanamide
CID 81272725
N-(2-bromo-5-chlorophenyl)-2-chloropropanamide
CID 81264583
2-amino-N-(2-bromo-5-chlorophenyl)propanamide
CID 81270376
(2S)-2-amino-N-(2-bromo-5-chlorophenyl)-3-methylbutanamide
CID 81271294
(3Z)-3-amino-N-(2-bromo-5-chlorophenyl)-3-hydroxyimino-2-methylpropanamide
CID 81274652
2-[(2-bromo-5-chlorophenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 81279694
5-(2-bromo-5-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 81264315
2-(2-bromo-5-chloroanilino)propanamide
CID 81281042
N-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide
CID 22082160
N-(2-bromo-5-chlorophenyl)-2-hydroxy-2-phenylacetamide
CID 114038606
N-(2-bromo-5-methylphenyl)-2-methylpentanamide
CID 82706265
3-(2-bromo-5-chloroanilino)-2-methylpropanamide
CID 81280704

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-2-methylbutanamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-2-methylbutanamide (CID 81271698) is N-(2-bromo-5-chlorophenyl)-2-methylbutanamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-2-methylbutanamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-2-methylbutanamide is CCC(C)C(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-2-methylbutanamide?
The InChIKey is VLEGAAGKZMUBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c1-3-7(2)11(15)14-10-6-8(13)4-5-9(10)12/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of N-(2-bromo-5-chlorophenyl)-2-methylbutanamide?
N-(2-bromo-5-chlorophenyl)-2-methylbutanamide has a molecular weight of 290.59 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-2-methylbutanamide is sourced from PubChem (CID 81271698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).