2-bromo-2-chloro-N-(2-methylphenyl)butanamide

C11H13BrClNO — CID 20511611

IUPAC2-bromo-2-chloro-N-(2-methylphenyl)butanamide
SMILESCCC(Cl)(Br)C(=O)Nc1ccccc1C
InChIInChI=1S/C11H13BrClNO/c1-3-11(12,13)10(15)14-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyXVXWZTQVSSYTCI-UHFFFAOYSA-N
MW290.59 g/mol
LogP3.67
Rot. Bonds3

About 2-bromo-2-chloro-N-(2-methylphenyl)butanamide

2-bromo-2-chloro-N-(2-methylphenyl)butanamide (PubChem CID 20511611) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is 2-bromo-2-chloro-N-(2-methylphenyl)butanamide.

Molecular Properties

Compound Name2-bromo-2-chloro-N-(2-methylphenyl)butanamide
PubChem CID20511611
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Name2-bromo-2-chloro-N-(2-methylphenyl)butanamide
SMILESCCC(Cl)(Br)C(=O)Nc1ccccc1C
InChIInChI=1S/C11H13BrClNO/c1-3-11(12,13)10(15)14-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyXVXWZTQVSSYTCI-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide
CID 71672661
(2R)-2,3-dibromo-2-fluoro-N-(2-methylphenyl)propanamide
CID 131850393
2-bromo-2-chloro-N-(2-ethyl-4-methylphenyl)butanamide
CID 20511655
2-fluoro-2-methyl-N-(2-methylphenyl)propanamide
CID 130165272
2,2-difluoro-3-iodo-N-(2-methylphenyl)propanamide
CID 14154832
2,2-difluoro-N-(2-methylphenyl)-3-oxobutanamide
CID 102107595
tert-butyl N-[2-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]carbamate
CID 142869168
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627
2-cyano-2-methyl-N-(2-methylphenyl)propanamide
CID 60778630
2-fluoro-2-methyl-3-(2-methylanilino)-3-oxopropanoic acid
CID 175308987
2-[(2-ethyl-2-hydroxybutyl)amino]-N-(2-methylphenyl)acetamide
CID 65111167
(2-methylphenyl)urea;phosphane
CID 175888509

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-chloro-N-(2-methylphenyl)butanamide?
The IUPAC name of 2-bromo-2-chloro-N-(2-methylphenyl)butanamide (CID 20511611) is 2-bromo-2-chloro-N-(2-methylphenyl)butanamide.
What is the SMILES notation for 2-bromo-2-chloro-N-(2-methylphenyl)butanamide?
The canonical SMILES for 2-bromo-2-chloro-N-(2-methylphenyl)butanamide is CCC(Cl)(Br)C(=O)Nc1ccccc1C.
What is the InChIKey of 2-bromo-2-chloro-N-(2-methylphenyl)butanamide?
The InChIKey is XVXWZTQVSSYTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c1-3-11(12,13)10(15)14-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-2-chloro-N-(2-methylphenyl)butanamide?
2-bromo-2-chloro-N-(2-methylphenyl)butanamide has a molecular weight of 290.59 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-chloro-N-(2-methylphenyl)butanamide is sourced from PubChem (CID 20511611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).